8-(sec-butylthio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(sec-butylthio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione (CAS 369604-02-4) is a chemical compound with molecular formula C19H24N4O2S and molecular weight 372.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-butan-2-ylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: BAS 00553111, 8-(sec-butylthio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione, F0372-0196, 8-butan-2-ylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione, 8-(butan-2-ylsulfanyl)-3-methyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C19H24N4O2S |
|---|---|
| Molecular Weight | 372.16 g/mol |
| LogP | 2.9467 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.162 |
| Heavy Atoms | 26 |
| Complexity | 1004.0364 |
Chemical Identifiers
| CAS Number | 369604-02-4 |
|---|---|
| SMILES | CCC(C)SC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C |
Product Overview
8-(sec-butylthio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione (CAS 369604-02-4), with molecular formula C19H24N4O2S and molecular weight 372.16 g/mol. IUPAC: 8-butan-2-ylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of 8-(sec-butylthio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(sec-butylthio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.9467 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(sec-butylthio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(sec-butylthio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(sec-butylthio)-3-methyl-7-(3-phenylpropyl)-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 8-(sec-butylthio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(sec-butylthio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is 369604-02-4.
What is the molecular formula of 8-(sec-butylthio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(sec-butylthio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is C19H24N4O2S.
What is the molecular weight of 8-(sec-butylthio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(sec-butylthio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is 372.16 g/mol.
Where can I buy 8-(sec-butylthio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(sec-butylthio)-3-methyl-7-(3-phenylpropyl)-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 8-(sec-butylthio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(sec-butylthio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.