6-Chloro-7,9-dihydro-2-(methylsulfonyl)-8H-purin-8-one
TL;DR: 6-Chloro-7,9-dihydro-2-(methylsulfonyl)-8H-purin-8-one (CAS 99586-67-1) is a chemical compound with molecular formula C6H5ClN4O3S and molecular weight 247.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-methylsulfonyl-7,9-dihydropurin-8-one
Also Known As: 6-chloro-2-methylsulfonyl-7,9-dihydropurin-8-one, 6-Chloro-7,9-dihydro-2-(methylsulfonyl)-8H-purin-8-one, 6-Chloro-2-(methanesulfonyl)-7,9-dihydro-8H-purin-8-one
| Molecular Formula | C6H5ClN4O3S |
|---|---|
| Molecular Weight | 247.98 g/mol |
| LogP | -0.2969 |
| Topological Polar Surface Area | 108.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.97708 |
| Heavy Atoms | 15 |
| Complexity | 685.9552 |
Chemical Identifiers
| CAS Number | 99586-67-1 |
|---|---|
| SMILES | CS(=O)(=O)C1=NC2=C(C(=N1)Cl)NC(=O)N2 |
Product Overview
6-Chloro-7,9-dihydro-2-(methylsulfonyl)-8H-purin-8-one (CAS 99586-67-1), with molecular formula C6H5ClN4O3S and molecular weight 247.98 g/mol. IUPAC: 6-chloro-2-methylsulfonyl-7,9-dihydropurin-8-one.
Chemical Property Profile of 6-Chloro-7,9-dihydro-2-(methylsulfonyl)-8H-purin-8-one
Property Insights of 6-Chloro-7,9-dihydro-2-(methylsulfonyl)-8H-purin-8-one
The XLogP value of -0.2969 indicates that 6-Chloro-7,9-dihydro-2-(methylsulfonyl)-8H-purin-8-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-7,9-dihydro-2-(methylsulfonyl)-8H-purin-8-one. Following Lipinski's Rule of Five, 6-Chloro-7,9-dihydro-2-(methylsulfonyl)-8H-purin-8-one 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 6-Chloro-7,9-dihydro-2-(methylsulfonyl)-8H-purin-8-one?
The CAS number of 6-Chloro-7,9-dihydro-2-(methylsulfonyl)-8H-purin-8-one is 99586-67-1.
What is the molecular formula of 6-Chloro-7,9-dihydro-2-(methylsulfonyl)-8H-purin-8-one?
The molecular formula of 6-Chloro-7,9-dihydro-2-(methylsulfonyl)-8H-purin-8-one is C6H5ClN4O3S.
What is the molecular weight of 6-Chloro-7,9-dihydro-2-(methylsulfonyl)-8H-purin-8-one?
The molecular weight of 6-Chloro-7,9-dihydro-2-(methylsulfonyl)-8H-purin-8-one is 247.98 g/mol.
Where can I buy 6-Chloro-7,9-dihydro-2-(methylsulfonyl)-8H-purin-8-one?
You can request a quote for 6-Chloro-7,9-dihydro-2-(methylsulfonyl)-8H-purin-8-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-7,9-dihydro-2-(methylsulfonyl)-8H-purin-8-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-7,9-dihydro-2-(methylsulfonyl)-8H-purin-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.