FTC-butanoyl ester
TL;DR: FTC-butanoyl ester (CAS 143491-58-1) is a chemical compound with molecular formula C12H16FN3O4S and molecular weight 317.08456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl butanoate
Also Known As: FTC-butanoyl ester, FTC deriv, Emtricitabine Impurity 54, ((2S,5R)-5-(4-Amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl)methyl butyrate, [(2S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl butanoate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16FN3O4S |
| Molecular Weight | 317.08456 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.08456 Da |
| Heavy Atoms | 21 |
| Complexity | 497.0 |
| SMILES | CCCC(=O)OC[C@H]1O[C@H](CS1)N2C=C(C(=NC2=O)N)F |
| InChIKey | DQXKOXQEQONOBG-SCZZXKLOSA-N |
Chemical Property Profile of FTC-butanoyl ester
Property Insights of FTC-butanoyl ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for FTC-butanoyl ester. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for FTC-butanoyl ester. Following Lipinski's Rule of Five, FTC-butanoyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of FTC-butanoyl ester?
The CAS number of FTC-butanoyl ester is 143491-58-1.
What is the molecular formula of FTC-butanoyl ester?
The molecular formula of FTC-butanoyl ester is C12H16FN3O4S.
What is the molecular weight of FTC-butanoyl ester?
The molecular weight of FTC-butanoyl ester is 317.08456 g/mol.
Where can I buy FTC-butanoyl ester?
You can request a quote for FTC-butanoyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for FTC-butanoyl ester?
Yes, CoreyChem provides custom synthesis services for FTC-butanoyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.