2'-Deoxy-6-thioinosine
TL;DR: 2'-Deoxy-6-thioinosine (CAS 2239-64-7) is a chemical compound with molecular formula C10H12N4O3S and molecular weight 268.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
Also Known As: 2'-Deoxy-6-thioinosine, Deoxythioinosine, 6-Mercaptopurine deoxyriboside, Inosine, 2'-deoxy-6-thio-, 6-thio-2' -deoxyinosine
| Molecular Formula | C10H12N4O3S |
|---|---|
| Molecular Weight | 268.06 g/mol |
| LogP | 0.12959 |
| Topological Polar Surface Area | 96.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.06302 |
| Heavy Atoms | 18 |
| Complexity | 624.85547 |
Chemical Identifiers
| CAS Number | 2239-64-7 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC3=S)CO)O |
Product Overview
2'-Deoxy-6-thioinosine (CAS 2239-64-7), with molecular formula C10H12N4O3S and molecular weight 268.06 g/mol. IUPAC: 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione.
Chemical Property Profile of 2'-Deoxy-6-thioinosine
Property Insights of 2'-Deoxy-6-thioinosine
The XLogP value of 0.12959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Deoxy-6-thioinosine. The TPSA of 96.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Deoxy-6-thioinosine. Following Lipinski's Rule of Five, 2'-Deoxy-6-thioinosine has 3 hydrogen bond donor(s) and 6 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 2'-Deoxy-6-thioinosine?
The CAS number of 2'-Deoxy-6-thioinosine is 2239-64-7.
What is the molecular formula of 2'-Deoxy-6-thioinosine?
The molecular formula of 2'-Deoxy-6-thioinosine is C10H12N4O3S.
What is the molecular weight of 2'-Deoxy-6-thioinosine?
The molecular weight of 2'-Deoxy-6-thioinosine is 268.06 g/mol.
Where can I buy 2'-Deoxy-6-thioinosine?
You can request a quote for 2'-Deoxy-6-thioinosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Deoxy-6-thioinosine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-6-thioinosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.