![7-[(2-chlorophenyl)methyl]-8-(hexylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/3746/374615-76-6.webp)
7-[(2-chlorophenyl)methyl]-8-(hexylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 7-[(2-chlorophenyl)methyl]-8-(hexylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 374615-76-6) is a chemical compound with molecular formula C20H25ClN4O2S and molecular weight 420.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-8-hexylsulfanyl-1,3-dimethylpurine-2,6-dione
Also Known As: 7-[(2-chlorophenyl)methyl]-8-(hexylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-8-hexylsulfanyl-1,3-dimethylpurine-2,6-dione, 7-(2-chlorobenzyl)-8-(hexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-(2-chlorobenzyl)-8-(hexylthio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-(2-chlorobenzyl)-8-(hexylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C20H25ClN4O2S |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | 3.8078 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 420.13867 |
| Heavy Atoms | 28 |
| Complexity | 1100.0044 |
Chemical Identifiers
| CAS Number | 374615-76-6 |
|---|---|
| SMILES | CCCCCCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C |
Product Overview
7-[(2-chlorophenyl)methyl]-8-(hexylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 374615-76-6), with molecular formula C20H25ClN4O2S and molecular weight 420.14 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-hexylsulfanyl-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-[(2-chlorophenyl)methyl]-8-(hexylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 7-[(2-chlorophenyl)methyl]-8-(hexylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 3.8078 indicates that 7-[(2-chlorophenyl)methyl]-8-(hexylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(2-chlorophenyl)methyl]-8-(hexylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-[(2-chlorophenyl)methyl]-8-(hexylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione has 0 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]-8-(hexylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 7-[(2-chlorophenyl)methyl]-8-(hexylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 374615-76-6.
What is the molecular formula of 7-[(2-chlorophenyl)methyl]-8-(hexylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 7-[(2-chlorophenyl)methyl]-8-(hexylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C20H25ClN4O2S.
What is the molecular weight of 7-[(2-chlorophenyl)methyl]-8-(hexylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 7-[(2-chlorophenyl)methyl]-8-(hexylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 420.14 g/mol.
Where can I buy 7-[(2-chlorophenyl)methyl]-8-(hexylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 7-[(2-chlorophenyl)methyl]-8-(hexylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-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-[(2-chlorophenyl)methyl]-8-(hexylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(2-chlorophenyl)methyl]-8-(hexylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.