8H-Purin-8-one, 6-chloro-3,7-dihydro-2-(methylthio)-
TL;DR: 8H-Purin-8-one, 6-chloro-3,7-dihydro-2-(methylthio)- (CAS 98138-76-2) is a chemical compound with molecular formula C6H5ClN4OS and molecular weight 215.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-methylsulfanyl-7,9-dihydropurin-8-one
Also Known As: 8H-Purin-8-one, 6-chloro-3,7-dihydro-2-(methylthio)-, 6-chloro-2-methylsulfanyl-7,9-dihydropurin-8-one, 6-Chloro-2-(methylthio)-3H-purin-8(7H)-one, 6-chloro-2-methylsulfanyl-7,9-dihydro-purin-8-one, 6-Chloro-2-(methylsulfanyl)-7,9-dihydro-8H-purin-8-one
| Molecular Formula | C6H5ClN4OS |
|---|---|
| Molecular Weight | 215.99 g/mol |
| LogP | 1.0215 |
| Topological Polar Surface Area | 74.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.98726 |
| Heavy Atoms | 13 |
| Complexity | 504.79382 |
Chemical Identifiers
| CAS Number | 98138-76-2 |
|---|---|
| SMILES | CSC1=NC2=C(C(=N1)Cl)NC(=O)N2 |
Product Overview
8H-Purin-8-one, 6-chloro-3,7-dihydro-2-(methylthio)- (CAS 98138-76-2), with molecular formula C6H5ClN4OS and molecular weight 215.99 g/mol. IUPAC: 6-chloro-2-methylsulfanyl-7,9-dihydropurin-8-one.
Chemical Property Profile of 8H-Purin-8-one, 6-chloro-3,7-dihydro-2-(methylthio)-
Property Insights of 8H-Purin-8-one, 6-chloro-3,7-dihydro-2-(methylthio)-
The XLogP value of 1.0215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8H-Purin-8-one, 6-chloro-3,7-dihydro-2-(methylthio)-. The TPSA of 74.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 8H-Purin-8-one, 6-chloro-3,7-dihydro-2-(methylthio)-. Following Lipinski's Rule of Five, 8H-Purin-8-one, 6-chloro-3,7-dihydro-2-(methylthio)- has 2 hydrogen bond donor(s) and 4 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 8H-Purin-8-one, 6-chloro-3,7-dihydro-2-(methylthio)-?
The CAS number of 8H-Purin-8-one, 6-chloro-3,7-dihydro-2-(methylthio)- is 98138-76-2.
What is the molecular formula of 8H-Purin-8-one, 6-chloro-3,7-dihydro-2-(methylthio)-?
The molecular formula of 8H-Purin-8-one, 6-chloro-3,7-dihydro-2-(methylthio)- is C6H5ClN4OS.
What is the molecular weight of 8H-Purin-8-one, 6-chloro-3,7-dihydro-2-(methylthio)-?
The molecular weight of 8H-Purin-8-one, 6-chloro-3,7-dihydro-2-(methylthio)- is 215.99 g/mol.
Where can I buy 8H-Purin-8-one, 6-chloro-3,7-dihydro-2-(methylthio)-?
You can request a quote for 8H-Purin-8-one, 6-chloro-3,7-dihydro-2-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8H-Purin-8-one, 6-chloro-3,7-dihydro-2-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 8H-Purin-8-one, 6-chloro-3,7-dihydro-2-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.