(E)-7-(but-2-en-1-yl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-7-(but-2-en-1-yl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 329699-77-6) is a chemical compound with molecular formula C14H20N4O2S and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-butan-2-ylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione
Also Known As: (E)-7-(but-2-en-1-yl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione, AB01278560-01, 8-butan-2-ylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione, F0372-0558, 7-((2E)but-2-enyl)-3-methyl-8-(methylpropylthio)-1,3,7-trihydropurine-2,6-dion e
| Molecular Formula | C14H20N4O2S |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 1.89 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.1307 |
| Heavy Atoms | 21 |
| Complexity | 784.5935 |
Chemical Identifiers
| CAS Number | 329699-77-6 |
|---|---|
| SMILES | CCC(C)SC1=NC2=C(N1C/C=C/C)C(=O)NC(=O)N2C |
Product Overview
(E)-7-(but-2-en-1-yl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 329699-77-6), with molecular formula C14H20N4O2S and molecular weight 308.13 g/mol. IUPAC: 8-butan-2-ylsulfanyl-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of (E)-7-(but-2-en-1-yl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-7-(but-2-en-1-yl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.89 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-7-(but-2-en-1-yl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-7-(but-2-en-1-yl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, (E)-7-(but-2-en-1-yl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-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 (E)-7-(but-2-en-1-yl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-7-(but-2-en-1-yl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione is 329699-77-6.
What is the molecular formula of (E)-7-(but-2-en-1-yl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-7-(but-2-en-1-yl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione is C14H20N4O2S.
What is the molecular weight of (E)-7-(but-2-en-1-yl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-7-(but-2-en-1-yl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione is 308.13 g/mol.
Where can I buy (E)-7-(but-2-en-1-yl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-7-(but-2-en-1-yl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-7-(but-2-en-1-yl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-7-(but-2-en-1-yl)-8-(sec-butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.