7-isopentyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-isopentyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione (CAS 331841-65-7) 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.
3-methyl-7-(3-methylbutyl)-8-(2-phenylethylsulfanyl)purine-2,6-dione
Also Known As: 7-isopentyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-(3-methylbutyl)-8-phenethylsulfanylpurine-2,6-dione, 3-methyl-7-(3-methylbutyl)-8-(2-phenylethylsulfanyl)purine-2,6-dione, 3-methyl-7-(3-methylbutyl)-8-[(2-phenylethyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3-Methyl-7-(3-methyl-butyl)-8-phenethylsulfanyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C19H24N4O2S |
|---|---|
| Molecular Weight | 372.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.162 |
| Heavy Atoms | 26 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 331841-65-7 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)NC2=O)C |
| InChIKey | JPGNOXCOGOOGJR-UHFFFAOYSA-N |
Product Overview
7-isopentyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione (CAS 331841-65-7), with molecular formula C19H24N4O2S and molecular weight 372.16 g/mol. IUPAC: 3-methyl-7-(3-methylbutyl)-8-(2-phenylethylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 7-isopentyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-isopentyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.8 indicates that 7-isopentyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-isopentyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-isopentyl-3-methyl-8-(phenethylthio)-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 7-isopentyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-isopentyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione is 331841-65-7.
What is the molecular formula of 7-isopentyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-isopentyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione is C19H24N4O2S.
What is the molecular weight of 7-isopentyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-isopentyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione is 372.16 g/mol.
Where can I buy 7-isopentyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-isopentyl-3-methyl-8-(phenethylthio)-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 7-isopentyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-isopentyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.