![7-[(E)-but-2-enyl]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione structure](/static/products/332/332897-53-7.png)
7-[(E)-but-2-enyl]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione
TL;DR: 7-[(E)-but-2-enyl]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione (CAS 332897-53-7) is a chemical compound with molecular formula C18H20N4O2S and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(E)-but-2-enyl]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione
Also Known As: BAS 00964804, AB01303435-01, 7-[(E)-but-2-enyl]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione, 7-[(2E)-2-butenyl]-3-methyl-8-[(3-methylbenzyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione, 7-(2-butenyl)-3-methyl-8-[(3-methylbenzyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C18H20N4O2S |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 2.60012 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.1307 |
| Heavy Atoms | 25 |
| Complexity | 1059.1038 |
Chemical Identifiers
| CAS Number | 332897-53-7 |
|---|---|
| SMILES | C/C=C/CN1C2=C(N=C1SCC3=CC=CC(=C3)C)N(C(=O)NC2=O)C |
Product Overview
7-[(E)-but-2-enyl]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione (CAS 332897-53-7), with molecular formula C18H20N4O2S and molecular weight 356.13 g/mol. IUPAC: 7-[(E)-but-2-enyl]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione.
Chemical Property Profile of 7-[(E)-but-2-enyl]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione
Property Insights of 7-[(E)-but-2-enyl]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione
The XLogP value of 2.60012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(E)-but-2-enyl]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-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]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione. Following Lipinski's Rule of Five, 7-[(E)-but-2-enyl]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]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-[(E)-but-2-enyl]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione?
The CAS number of 7-[(E)-but-2-enyl]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione is 332897-53-7.
What is the molecular formula of 7-[(E)-but-2-enyl]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione?
The molecular formula of 7-[(E)-but-2-enyl]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione is C18H20N4O2S.
What is the molecular weight of 7-[(E)-but-2-enyl]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione?
The molecular weight of 7-[(E)-but-2-enyl]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione is 356.13 g/mol.
Where can I buy 7-[(E)-but-2-enyl]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione?
You can request a quote for 7-[(E)-but-2-enyl]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]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-[(E)-but-2-enyl]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(E)-but-2-enyl]-3-methyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.