6-Benzylthioinosine
TL;DR: 6-Benzylthioinosine (CAS 6165-03-3) is a chemical compound with molecular formula C17H18N4O4S and molecular weight 374.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-benzylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 6-Benzylthioinosine, 6-Benzylthionebularine, 6-Benzylthiopurine ribonucleoside, 6-(benzylsulfanyl)-9-pentofuranosyl-9h-purine, NCI60_002098
| Molecular Formula | C17H18N4O4S |
|---|---|
| Molecular Weight | 374.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.1049 |
| Heavy Atoms | 26 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 6165-03-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O |
| InChIKey | OMJRXFOHHLLDFR-UHFFFAOYSA-N |
Product Overview
6-Benzylthioinosine (CAS 6165-03-3), with molecular formula C17H18N4O4S and molecular weight 374.10 g/mol. IUPAC: 2-(6-benzylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 6-Benzylthioinosine
Property Insights of 6-Benzylthioinosine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzylthioinosine. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzylthioinosine. Following Lipinski's Rule of Five, 6-Benzylthioinosine has 3 hydrogen bond donor(s) and 8 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 6-Benzylthioinosine?
The CAS number of 6-Benzylthioinosine is 6165-03-3.
What is the molecular formula of 6-Benzylthioinosine?
The molecular formula of 6-Benzylthioinosine is C17H18N4O4S.
What is the molecular weight of 6-Benzylthioinosine?
The molecular weight of 6-Benzylthioinosine is 374.10 g/mol.
Where can I buy 6-Benzylthioinosine?
You can request a quote for 6-Benzylthioinosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzylthioinosine?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzylthioinosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.