![8-[((E)-But-2-enyl)sulfanyl]-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione structure](/static/products/116/1164468-98-7.png)
8-[((E)-But-2-enyl)sulfanyl]-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione
TL;DR: 8-[((E)-But-2-enyl)sulfanyl]-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 1164468-98-7) is a chemical compound with molecular formula C13H18N4O2S and molecular weight 294.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(E)-but-2-enyl]sulfanyl-3-methyl-7-propan-2-ylpurine-2,6-dione
Also Known As: BAS 01122497, 8-[(E)-but-2-enyl]sulfanyl-3-methyl-7-propan-2-ylpurine-2,6-dione, 8-But-2-enylsulfanyl-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione, (E)-8-(but-2-en-1-ylthio)-7-isopropyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-((2E)but-2-enylthio)-3-methyl-7-(methylethyl)-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C13H18N4O2S |
|---|---|
| Molecular Weight | 294.12 g/mol |
| LogP | 1.6724 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.11505 |
| Heavy Atoms | 20 |
| Complexity | 766.99475 |
Chemical Identifiers
| CAS Number | 1164468-98-7 |
|---|---|
| SMILES | C/C=C/CSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C |
Product Overview
8-[((E)-But-2-enyl)sulfanyl]-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 1164468-98-7), with molecular formula C13H18N4O2S and molecular weight 294.12 g/mol. IUPAC: 8-[(E)-but-2-enyl]sulfanyl-3-methyl-7-propan-2-ylpurine-2,6-dione.
Chemical Property Profile of 8-[((E)-But-2-enyl)sulfanyl]-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione
Property Insights of 8-[((E)-But-2-enyl)sulfanyl]-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 1.6724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[((E)-But-2-enyl)sulfanyl]-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[((E)-But-2-enyl)sulfanyl]-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 8-[((E)-But-2-enyl)sulfanyl]-7-isopropyl-3-methyl-3,7-dihydro-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-[((E)-But-2-enyl)sulfanyl]-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 8-[((E)-But-2-enyl)sulfanyl]-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione is 1164468-98-7.
What is the molecular formula of 8-[((E)-But-2-enyl)sulfanyl]-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 8-[((E)-But-2-enyl)sulfanyl]-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione is C13H18N4O2S.
What is the molecular weight of 8-[((E)-But-2-enyl)sulfanyl]-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 8-[((E)-But-2-enyl)sulfanyl]-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione is 294.12 g/mol.
Where can I buy 8-[((E)-But-2-enyl)sulfanyl]-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 8-[((E)-But-2-enyl)sulfanyl]-7-isopropyl-3-methyl-3,7-dihydro-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-[((E)-But-2-enyl)sulfanyl]-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[((E)-But-2-enyl)sulfanyl]-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.