7-Benzyl-8-(2-chloro-ethylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione
TL;DR: 7-Benzyl-8-(2-chloro-ethylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 332408-87-4) is a chemical compound with molecular formula C15H15ClN4O2S and molecular weight 350.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-8-(2-chloroethylsulfanyl)-3-methylpurine-2,6-dione
Also Known As: BAS 00451723, 7-benzyl-8-(2-chloroethylsulfanyl)-3-methylpurine-2,6-dione, 7-Benzyl-8-(2-chloro-ethylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione, 7-benzyl-8-[(2-chloroethyl)sulfanyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-benzyl-8-((2-chloroethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C15H15ClN4O2S |
|---|---|
| Molecular Weight | 350.06 g/mol |
| LogP | 1.8025 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.06042 |
| Heavy Atoms | 23 |
| Complexity | 945.7507 |
Chemical Identifiers
| CAS Number | 332408-87-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCl)CC3=CC=CC=C3 |
Product Overview
7-Benzyl-8-(2-chloro-ethylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 332408-87-4), with molecular formula C15H15ClN4O2S and molecular weight 350.06 g/mol. IUPAC: 7-benzyl-8-(2-chloroethylsulfanyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-Benzyl-8-(2-chloro-ethylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione
Property Insights of 7-Benzyl-8-(2-chloro-ethylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 1.8025 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzyl-8-(2-chloro-ethylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzyl-8-(2-chloro-ethylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 7-Benzyl-8-(2-chloro-ethylsulfanyl)-3-methyl-3,7-dihydro-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 7-Benzyl-8-(2-chloro-ethylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 7-Benzyl-8-(2-chloro-ethylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione is 332408-87-4.
What is the molecular formula of 7-Benzyl-8-(2-chloro-ethylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 7-Benzyl-8-(2-chloro-ethylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione is C15H15ClN4O2S.
What is the molecular weight of 7-Benzyl-8-(2-chloro-ethylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 7-Benzyl-8-(2-chloro-ethylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione is 350.06 g/mol.
Where can I buy 7-Benzyl-8-(2-chloro-ethylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 7-Benzyl-8-(2-chloro-ethylsulfanyl)-3-methyl-3,7-dihydro-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-Benzyl-8-(2-chloro-ethylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl-8-(2-chloro-ethylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.