![7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/3039/303971-25-7.webp)
7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione (CAS 303971-25-7) is a chemical compound with molecular formula C17H17ClN4O3S and molecular weight 392.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(2-oxopropylsulfanyl)purine-2,6-dione
Also Known As: 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione, 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(2-oxopropylsulfanyl)purine-2,6-dione, 7-(4-chlorobenzyl)-1,3-dimethyl-8-((2-oxopropyl)thio)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H17ClN4O3S |
|---|---|
| Molecular Weight | 392.07 g/mol |
| LogP | 1.8165 |
| Topological Polar Surface Area | 78.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.07098 |
| Heavy Atoms | 26 |
| Complexity | 1112.214 |
Chemical Identifiers
| CAS Number | 303971-25-7 |
|---|---|
| SMILES | CC(=O)CSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C |
Product Overview
7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione (CAS 303971-25-7), with molecular formula C17H17ClN4O3S and molecular weight 392.07 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(2-oxopropylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.8165 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 78.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione has 0 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 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione is 303971-25-7.
What is the molecular formula of 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione is C17H17ClN4O3S.
What is the molecular weight of 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione is 392.07 g/mol.
Where can I buy 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-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-chlorobenzyl)-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.