5-(TETRADECYLOXY)-2-FUROIC ACID CAS#: 54857-86-2; 凯望编码 (ChemWhat Code): 848422
Identification
| 英文名 | 5-(TETRADECYLOXY)-2-FUROIC ACID |
| IUPAC Name | 5-tetradecoxyfuran-2-carboxylic acid |
| 分子结构 |  |
| CAS编号 | 54857-86-2 |
| EINECS Number | No data available |
| MDL Number | MFCD01726059 |
| Beilstein Registry Number | No data available |
| 别名 | 5-(tetradecyloxy)-2-furancarboxylic acid5-(tetradecyloxy)-2-furoic acidTOFA |
| 分子式 | C19H32O4 |
| 分子量 | 324.45 |
| InChI | InChI=1S/C19H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18-15-14-17(23-18)19(20)21/h14-15H,2-13,16H2,1H3,(H,20,21) |
| InChI Key | CZRCFAOMWRAFIC-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCCCCCCCCCCOc1ccc(o1)C(=O)O |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| WO2022/5871 | METHODS OF TREATING SARS-COV-2 INFECTION USING INHIBITORS OF LIPOGENESIS | 2022 |
| US2016/229825 | SYNTHETIC PROCESS FOR PREPARING 2-FUROIC ACID DERIVATIVES | 2016 |
| US4110351 | Hypolipidemic agents RO- or RS- substituted furoic acids, esters and salts | 1978 |
Physical Data
| Appearance | White to beige powder |
| Solubility | DMSO: 2.5 mg/mL |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C |
| 119 |
| 117 – 120 |
Spectra
| Description (NMR Spectroscopy) | |
| NMR |
| Description (IR Spectroscopy) |
| IR |
| Description (UV/VIS Spectroscopy) |
| UV/VIS |
Route of Synthesis (ROS)
| Conditions | Yield |
| Stage #1: 5-(tetradecyloxy)-2-furancarboxylic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 0 – 20℃; Stage #2: salicylic acid With triethylamine In dichloromethane at 0℃; for 2h; | 57% |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
| For more detailed information, please visit ECHA C&L website |
| Source: European Chemicals Agency (ECHA) License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page. License URL: https://echa.europa.eu/web/guest/legal-notice Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446 Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database |
Other Data
| Transportation | Under the room temperature and away from light |
| HS Code | No data available |
| Storage | Store at 2-5℃, keep in dry and aovid direct sun light. |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 324.461 |
| logP | 7.784 |
| HBA | 2 |
| HBD | 1 |
| Matching Lipinski Rules | 3 |
| Veber rules component | |
| Polar Surface Area (PSA) | 59.67 |
| Rotatable Bond (RotB) | 15 |
| Matching Veber Rules | 1 |
| Use Pattern |
| identifying a MYC-driven neoplasm therapeutic agent |
| inhibitor of ACACA |
| treating MYC-driven neoplasm |
| treating a subject for a lipogenesis-dependent neoplasm |
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认证生产商 | |
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