![7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione structure](/static/products/3317/331751-89-4.webp)
7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione
TL;DR: 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione (CAS 331751-89-4) is a chemical compound with molecular formula C13H11ClN4O2S and molecular weight 322.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione
Also Known As: purine-2,6-dione, 19, BAS 00552965, 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione, 7-(4-chlorobenzyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C13H11ClN4O2S |
|---|---|
| Molecular Weight | 322.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.0291 |
| Heavy Atoms | 21 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 331751-89-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC3=CC=C(C=C3)Cl |
| InChIKey | AFCLEMNPGSUBDT-UHFFFAOYSA-N |
Product Overview
7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione (CAS 331751-89-4), with molecular formula C13H11ClN4O2S and molecular weight 322.03 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione.
Chemical Property Profile of 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione
Property Insights of 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione 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-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione?
The CAS number of 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione is 331751-89-4.
What is the molecular formula of 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione?
The molecular formula of 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione is C13H11ClN4O2S.
What is the molecular weight of 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione?
The molecular weight of 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione is 322.03 g/mol.
Where can I buy 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione?
You can request a quote for 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.