![8-[(2-chloroethyl)sulfanyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/3318/331841-61-3.webp)
8-[(2-chloroethyl)sulfanyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-[(2-chloroethyl)sulfanyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione (CAS 331841-61-3) is a chemical compound with molecular formula C13H19ClN4O2S and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-chloroethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione
Also Known As: BAS 00620110, 8-[(2-chloroethyl)sulfanyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione, 8-(2-chloroethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione, 8-(2-Chloro-ethylsulfanyl)-3-methyl-7-pentyl-3,7-dihydro-purine-2,6-dione, 8-((2-chloroethyl)thio)-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C13H19ClN4O2S |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | 1.9444 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 330.09174 |
| Heavy Atoms | 21 |
| Complexity | 734.0721 |
Chemical Identifiers
| CAS Number | 331841-61-3 |
|---|---|
| SMILES | CCCCCN1C2=C(N=C1SCCCl)N(C(=O)NC2=O)C |
Product Overview
8-[(2-chloroethyl)sulfanyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione (CAS 331841-61-3), with molecular formula C13H19ClN4O2S and molecular weight 330.09 g/mol. IUPAC: 8-(2-chloroethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione.
Chemical Property Profile of 8-[(2-chloroethyl)sulfanyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-[(2-chloroethyl)sulfanyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.9444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(2-chloroethyl)sulfanyl]-3-methyl-7-pentyl-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-[(2-chloroethyl)sulfanyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-[(2-chloroethyl)sulfanyl]-3-methyl-7-pentyl-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-[(2-chloroethyl)sulfanyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-[(2-chloroethyl)sulfanyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione is 331841-61-3.
What is the molecular formula of 8-[(2-chloroethyl)sulfanyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-[(2-chloroethyl)sulfanyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione is C13H19ClN4O2S.
What is the molecular weight of 8-[(2-chloroethyl)sulfanyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-[(2-chloroethyl)sulfanyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione is 330.09 g/mol.
Where can I buy 8-[(2-chloroethyl)sulfanyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-[(2-chloroethyl)sulfanyl]-3-methyl-7-pentyl-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-[(2-chloroethyl)sulfanyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(2-chloroethyl)sulfanyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.