![7-[(2-Chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione structure](/static/products/3318/331841-36-2.webp)
7-[(2-Chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione
TL;DR: 7-[(2-Chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione (CAS 331841-36-2) is a chemical compound with molecular formula C16H17ClN4O2S and molecular weight 364.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione
Also Known As: BAS 00620055, AB01295550-01, 7-[(2-chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione, 7-(2-chlorobenzyl)-8-(isopropylthio)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-(2-chlorobenzyl)-8-(isopropylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C16H17ClN4O2S |
|---|---|
| Molecular Weight | 364.08 g/mol |
| LogP | 2.6255 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.07608 |
| Heavy Atoms | 24 |
| Complexity | 1019.0698 |
Chemical Identifiers
| CAS Number | 331841-36-2 |
|---|---|
| SMILES | CC(C)SC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C |
Product Overview
7-[(2-Chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione (CAS 331841-36-2), with molecular formula C16H17ClN4O2S and molecular weight 364.08 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione.
Chemical Property Profile of 7-[(2-Chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione
Property Insights of 7-[(2-Chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione
The XLogP value of 2.6255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(2-Chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(2-Chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-[(2-Chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione has 1 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 7-[(2-Chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione?
The CAS number of 7-[(2-Chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione is 331841-36-2.
What is the molecular formula of 7-[(2-Chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione?
The molecular formula of 7-[(2-Chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione is C16H17ClN4O2S.
What is the molecular weight of 7-[(2-Chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione?
The molecular weight of 7-[(2-Chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione is 364.08 g/mol.
Where can I buy 7-[(2-Chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione?
You can request a quote for 7-[(2-Chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-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-[(2-Chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(2-Chlorophenyl)methyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.