![8-[(4-chlorobutyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/3321/332149-75-4.webp)
8-[(4-chlorobutyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-[(4-chlorobutyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 332149-75-4) is a chemical compound with molecular formula C18H21ClN4O2S and molecular weight 392.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-chlorobutylsulfanyl)-3-methyl-7-(2-phenylethyl)purine-2,6-dione
Also Known As: 8-[(4-chlorobutyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione, 8-(4-chlorobutylsulfanyl)-3-methyl-7-(2-phenylethyl)purine-2,6-dione, 8-(4-chlorobutylsulfanyl)-3-methyl-7-phenethylpurine-2,6-dione, 8-((4-chlorobutyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione, 8-(4-CHLORO-BUTYLSULFANYL)-3-METHYL-7-PHENETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE
| Molecular Formula | C18H21ClN4O2S |
|---|---|
| Molecular Weight | 392.11 g/mol |
| LogP | 2.7771 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 392.10736 |
| Heavy Atoms | 26 |
| Complexity | 994.0791 |
Chemical Identifiers
| CAS Number | 332149-75-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCCCl)CCC3=CC=CC=C3 |
Product Overview
8-[(4-chlorobutyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 332149-75-4), with molecular formula C18H21ClN4O2S and molecular weight 392.11 g/mol. IUPAC: 8-(4-chlorobutylsulfanyl)-3-methyl-7-(2-phenylethyl)purine-2,6-dione.
Chemical Property Profile of 8-[(4-chlorobutyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-[(4-chlorobutyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.7771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(4-chlorobutyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(4-chlorobutyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-[(4-chlorobutyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-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-[(4-chlorobutyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-[(4-chlorobutyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione is 332149-75-4.
What is the molecular formula of 8-[(4-chlorobutyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-[(4-chlorobutyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione is C18H21ClN4O2S.
What is the molecular weight of 8-[(4-chlorobutyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-[(4-chlorobutyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione is 392.11 g/mol.
Where can I buy 8-[(4-chlorobutyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-[(4-chlorobutyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-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 8-[(4-chlorobutyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(4-chlorobutyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.