7-Methyl-2-oxy-6-thiopurin
TL;DR: 7-Methyl-2-oxy-6-thiopurin (CAS 38695-88-4) is a chemical compound with molecular formula C6H6N4OS and molecular weight 182.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-6-sulfanylidene-3H-purin-2-one
Also Known As: 7-Methyl-2-oxy-6-thiopurin, NCI60_005509, 7-methyl-6-sulfanylidene-3H-purin-2-one, 7-methyl-2-oxo-6-thioxo-1,2,3,6-tetrahydropurine, purin-2(1H)-one, 3,6-dihydro-7-methyl-6-thioxo-
| Molecular Formula | C6H6N4OS |
|---|---|
| Molecular Weight | 182.03 g/mol |
| LogP | 0.31919 |
| Topological Polar Surface Area | 66.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.02623 |
| Heavy Atoms | 12 |
| Complexity | 534.20703 |
Chemical Identifiers
| CAS Number | 38695-88-4 |
|---|---|
| SMILES | CN1C=NC2=C1C(=S)NC(=O)N2 |
Product Overview
7-Methyl-2-oxy-6-thiopurin (CAS 38695-88-4), with molecular formula C6H6N4OS and molecular weight 182.03 g/mol. IUPAC: 7-methyl-6-sulfanylidene-3H-purin-2-one.
Chemical Property Profile of 7-Methyl-2-oxy-6-thiopurin
Property Insights of 7-Methyl-2-oxy-6-thiopurin
The XLogP value of 0.31919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methyl-2-oxy-6-thiopurin. The TPSA of 66.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Methyl-2-oxy-6-thiopurin. Following Lipinski's Rule of Five, 7-Methyl-2-oxy-6-thiopurin has 2 hydrogen bond donor(s) and 3 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 7-Methyl-2-oxy-6-thiopurin?
The CAS number of 7-Methyl-2-oxy-6-thiopurin is 38695-88-4.
What is the molecular formula of 7-Methyl-2-oxy-6-thiopurin?
The molecular formula of 7-Methyl-2-oxy-6-thiopurin is C6H6N4OS.
What is the molecular weight of 7-Methyl-2-oxy-6-thiopurin?
The molecular weight of 7-Methyl-2-oxy-6-thiopurin is 182.03 g/mol.
Where can I buy 7-Methyl-2-oxy-6-thiopurin?
You can request a quote for 7-Methyl-2-oxy-6-thiopurin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methyl-2-oxy-6-thiopurin?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyl-2-oxy-6-thiopurin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.