![8-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione structure](/static/products/332/332905-23-4.png)
8-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
TL;DR: 8-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione (CAS 332905-23-4) is a chemical compound with molecular formula C18H19ClN4O2S and molecular weight 390.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 8-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione, 8-[(2E)-but-2-en-1-ylsulfanyl]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, (E)-8-(but-2-en-1-ylthio)-7-(2-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(2-butenylsulfanyl)-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-((2E)but-2-enylthio)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-1,3,7-trihydrop urine-2,6-dione
| Molecular Formula | C18H19ClN4O2S |
|---|---|
| Molecular Weight | 390.09 g/mol |
| LogP | 2.8036 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.09174 |
| Heavy Atoms | 26 |
| Complexity | 1110.8022 |
Chemical Identifiers
| CAS Number | 332905-23-4 |
|---|---|
| SMILES | C/C=C/CSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C |
Product Overview
8-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione (CAS 332905-23-4), with molecular formula C18H19ClN4O2S and molecular weight 390.09 g/mol. IUPAC: 8-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Property Insights of 8-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
The XLogP value of 2.8036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-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 8-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione?
The CAS number of 8-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione is 332905-23-4.
What is the molecular formula of 8-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione?
The molecular formula of 8-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione is C18H19ClN4O2S.
What is the molecular weight of 8-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione?
The molecular weight of 8-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione is 390.09 g/mol.
Where can I buy 8-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione?
You can request a quote for 8-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-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-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(E)-but-2-enyl]sulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.