![7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione structure](/static/products/116/1164542-33-9.png)
7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione
TL;DR: 7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione (CAS 1164542-33-9) is a chemical compound with molecular formula C17H17ClN4O2S and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00964802, 7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione, 7-[(E)-but-2-enyl]-8-[(4-chlorobenzyl)thio]-3-methyl-xanthine, (E)-7-(but-2-en-1-yl)-8-((4-chlorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-((E)-But-2-enyl)-8-(4-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C17H17ClN4O2S |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 2.9451 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.07608 |
| Heavy Atoms | 25 |
| Complexity | 1047.4255 |
Chemical Identifiers
| CAS Number | 1164542-33-9 |
|---|---|
| SMILES | C/C=C/CN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C |
Product Overview
7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione (CAS 1164542-33-9), with molecular formula C17H17ClN4O2S and molecular weight 376.08 g/mol. IUPAC: 7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione
Property Insights of 7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione
The XLogP value of 2.9451 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-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 7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione?
The CAS number of 7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione is 1164542-33-9.
What is the molecular formula of 7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione?
The molecular formula of 7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione is C17H17ClN4O2S.
What is the molecular weight of 7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione?
The molecular weight of 7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione is 376.08 g/mol.
Where can I buy 7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione?
You can request a quote for 7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-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 7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.