3'-Azido-3'-deoxy-4-thiothymidine
TL;DR: 3'-Azido-3'-deoxy-4-thiothymidine (CAS 108441-45-8) is a chemical compound with molecular formula C10H13N5O3S and molecular weight 283.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-sulfanylidenepyrimidin-2-one
Also Known As: N3ddThdS3, N3ddThdS, 3'-Azido-3'-deoxy-4-thiothymidine, 3/'-Azido-3/'-deoxy-4-thiothymidine, Thymidine, 3'-azido-3'-deoxy-4-thio-
| Molecular Formula | C10H13N5O3S |
|---|---|
| Molecular Weight | 283.07 g/mol |
| LogP | 1.17301 |
| Topological Polar Surface Area | 116.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0739 |
| Heavy Atoms | 19 |
| Complexity | 632.78766 |
Chemical Identifiers
| CAS Number | 108441-45-8 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=S)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-] |
Product Overview
3'-Azido-3'-deoxy-4-thiothymidine (CAS 108441-45-8), with molecular formula C10H13N5O3S and molecular weight 283.07 g/mol. IUPAC: 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-sulfanylidenepyrimidin-2-one.
Chemical Property Profile of 3'-Azido-3'-deoxy-4-thiothymidine
Property Insights of 3'-Azido-3'-deoxy-4-thiothymidine
The XLogP value of 1.17301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Azido-3'-deoxy-4-thiothymidine. The TPSA of 116.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Azido-3'-deoxy-4-thiothymidine. Following Lipinski's Rule of Five, 3'-Azido-3'-deoxy-4-thiothymidine has 2 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 3'-Azido-3'-deoxy-4-thiothymidine?
The CAS number of 3'-Azido-3'-deoxy-4-thiothymidine is 108441-45-8.
What is the molecular formula of 3'-Azido-3'-deoxy-4-thiothymidine?
The molecular formula of 3'-Azido-3'-deoxy-4-thiothymidine is C10H13N5O3S.
What is the molecular weight of 3'-Azido-3'-deoxy-4-thiothymidine?
The molecular weight of 3'-Azido-3'-deoxy-4-thiothymidine is 283.07 g/mol.
Where can I buy 3'-Azido-3'-deoxy-4-thiothymidine?
You can request a quote for 3'-Azido-3'-deoxy-4-thiothymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Azido-3'-deoxy-4-thiothymidine?
Yes, KEHONG BIO provides custom synthesis services for 3'-Azido-3'-deoxy-4-thiothymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.