Benzoyl thiothymidine
TL;DR: Benzoyl thiothymidine (CAS 132776-22-8) is a chemical compound with molecular formula C17H16F2N2O4S and molecular weight 382.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R)-3,4-difluoro-5-(5-methyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl benzoate
Also Known As: Benzoyl thiothymidine, Fluorinated Sugar Analog, 1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)-4-thiothymidine, 1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-.beta.-D-arabinofuranosyl)-4-thiothymidine, [(2R,3R,4R,5R)-3,4-difluoro-5-(5-methyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl benzoate
| Molecular Formula | C17H16F2N2O4S |
|---|---|
| Molecular Weight | 382.08 g/mol |
| LogP | 2.64491 |
| Topological Polar Surface Area | 73.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.0799 |
| Heavy Atoms | 26 |
| Complexity | 914.9692 |
Chemical Identifiers
| CAS Number | 132776-22-8 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=S)[C@H]2[C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)F)F |
Product Overview
Benzoyl thiothymidine (CAS 132776-22-8), with molecular formula C17H16F2N2O4S and molecular weight 382.08 g/mol. IUPAC: [(2R,3R,4R,5R)-3,4-difluoro-5-(5-methyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl benzoate.
Chemical Property Profile of Benzoyl thiothymidine
Property Insights of Benzoyl thiothymidine
The XLogP value of 2.64491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoyl thiothymidine. The TPSA of 73.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoyl thiothymidine. Following Lipinski's Rule of Five, Benzoyl thiothymidine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoyl thiothymidine?
The CAS number of Benzoyl thiothymidine is 132776-22-8.
What is the molecular formula of Benzoyl thiothymidine?
The molecular formula of Benzoyl thiothymidine is C17H16F2N2O4S.
What is the molecular weight of Benzoyl thiothymidine?
The molecular weight of Benzoyl thiothymidine is 382.08 g/mol.
Where can I buy Benzoyl thiothymidine?
You can request a quote for Benzoyl thiothymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoyl thiothymidine?
Yes, KEHONG BIO provides custom synthesis services for Benzoyl thiothymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.