![8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione structure](/static/products/3134/313470-81-4.webp)
8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione
TL;DR: 8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione (CAS 313470-81-4) is a chemical compound with molecular formula C17H19ClN4O2S and molecular weight 378.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-butan-2-ylsulfanyl-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00553004, 8-(butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione, 8-butan-2-ylsulfanyl-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione, 8-(sec-butylthio)-7-(4-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-(4-chlorobenzyl)-3-methyl-8-(sec-butylthio)xanthine
| Molecular Formula | C17H19ClN4O2S |
|---|---|
| Molecular Weight | 378.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.09174 |
| Heavy Atoms | 25 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 313470-81-4 |
|---|---|
| SMILES | CCC(C)SC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C |
| InChIKey | HWJUDZZLUIULRG-UHFFFAOYSA-N |
Product Overview
8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione (CAS 313470-81-4), with molecular formula C17H19ClN4O2S and molecular weight 378.09 g/mol. IUPAC: 8-butan-2-ylsulfanyl-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione
Property Insights of 8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione
The XLogP value of 3.8 indicates that 8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-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 8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione?
The CAS number of 8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione is 313470-81-4.
What is the molecular formula of 8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione?
The molecular formula of 8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione is C17H19ClN4O2S.
What is the molecular weight of 8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione?
The molecular weight of 8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione is 378.09 g/mol.
Where can I buy 8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione?
You can request a quote for 8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-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 8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.