![8-benzylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione structure](/static/products/116/1164542-45-3.png)
8-benzylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione
TL;DR: 8-benzylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione (CAS 1164542-45-3) is a chemical compound with molecular formula C17H18N4O2S and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-benzylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00964800, 8-benzylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione, 8-(benzylthio)-7-[(E)-but-2-enyl]-3-methyl-xanthine, 7-[(E)-but-2-enyl]-3-methyl-8-(phenylmethylthio)purine-2,6-dione, 8-(benzylsulfanyl)-7-[(2E)-but-2-en-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C17H18N4O2S |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 2.2917 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.11505 |
| Heavy Atoms | 24 |
| Complexity | 999.0878 |
Chemical Identifiers
| CAS Number | 1164542-45-3 |
|---|---|
| SMILES | C/C=C/CN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
8-benzylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione (CAS 1164542-45-3), with molecular formula C17H18N4O2S and molecular weight 342.12 g/mol. IUPAC: 8-benzylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-benzylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione
Property Insights of 8-benzylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione
The XLogP value of 2.2917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-benzylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-benzylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-benzylsulfanyl-7-[(E)-but-2-enyl]-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 8-benzylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione?
The CAS number of 8-benzylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione is 1164542-45-3.
What is the molecular formula of 8-benzylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione?
The molecular formula of 8-benzylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione is C17H18N4O2S.
What is the molecular weight of 8-benzylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione?
The molecular weight of 8-benzylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione is 342.12 g/mol.
Where can I buy 8-benzylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione?
You can request a quote for 8-benzylsulfanyl-7-[(E)-but-2-enyl]-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 8-benzylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-benzylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.