7-Hexyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione
TL;DR: 7-Hexyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione (CAS 316360-57-3) is a chemical compound with molecular formula C15H22N4O3S and molecular weight 338.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hexyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5731307:001, BAS 00552970, 7-hexyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione, 7-hexyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione, 7-Hexyl-3-methyl-8-(2-oxo-propylsulfanyl)-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C15H22N4O3S |
|---|---|
| Molecular Weight | 338.14 g/mol |
| LogP | 1.6847 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 338.14127 |
| Heavy Atoms | 23 |
| Complexity | 818.4619 |
Chemical Identifiers
| CAS Number | 316360-57-3 |
|---|---|
| SMILES | CCCCCCN1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C |
Product Overview
7-Hexyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione (CAS 316360-57-3), with molecular formula C15H22N4O3S and molecular weight 338.14 g/mol. IUPAC: 7-hexyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 7-Hexyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione
Property Insights of 7-Hexyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione
The XLogP value of 1.6847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Hexyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Hexyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione. Following Lipinski's Rule of Five, 7-Hexyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione has 1 hydrogen bond donor(s) and 5 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-Hexyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione?
The CAS number of 7-Hexyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione is 316360-57-3.
What is the molecular formula of 7-Hexyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione?
The molecular formula of 7-Hexyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione is C15H22N4O3S.
What is the molecular weight of 7-Hexyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione?
The molecular weight of 7-Hexyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione is 338.14 g/mol.
Where can I buy 7-Hexyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione?
You can request a quote for 7-Hexyl-3-methyl-8-(2-oxopropylsulfanyl)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-Hexyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Hexyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.