Pentyl 2-(7-butyl-3-methyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate
TL;DR: Pentyl 2-(7-butyl-3-methyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate (CAS 296244-40-1) is a chemical compound with molecular formula C17H26N4O4S and molecular weight 382.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-(7-butyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate
Also Known As: BAS 00964130, A2183/0091743, pentyl 2-(7-butyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate, pentyl [(7-butyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate, pentyl [(7-butyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]acetate
| Molecular Formula | C17H26N4O4S |
|---|---|
| Molecular Weight | 382.17 g/mol |
| LogP | 2.0489 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 382.16748 |
| Heavy Atoms | 26 |
| Complexity | 867.99567 |
Chemical Identifiers
| CAS Number | 296244-40-1 |
|---|---|
| SMILES | CCCCCOC(=O)CSC1=NC2=C(N1CCCC)C(=O)NC(=O)N2C |
Product Overview
Pentyl 2-(7-butyl-3-methyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate (CAS 296244-40-1), with molecular formula C17H26N4O4S and molecular weight 382.17 g/mol. IUPAC: pentyl 2-(7-butyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate.
Chemical Property Profile of Pentyl 2-(7-butyl-3-methyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate
Property Insights of Pentyl 2-(7-butyl-3-methyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate
The XLogP value of 2.0489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentyl 2-(7-butyl-3-methyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentyl 2-(7-butyl-3-methyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate. Following Lipinski's Rule of Five, Pentyl 2-(7-butyl-3-methyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate has 1 hydrogen bond donor(s) and 6 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 Pentyl 2-(7-butyl-3-methyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate?
The CAS number of Pentyl 2-(7-butyl-3-methyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate is 296244-40-1.
What is the molecular formula of Pentyl 2-(7-butyl-3-methyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate?
The molecular formula of Pentyl 2-(7-butyl-3-methyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate is C17H26N4O4S.
What is the molecular weight of Pentyl 2-(7-butyl-3-methyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate?
The molecular weight of Pentyl 2-(7-butyl-3-methyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate is 382.17 g/mol.
Where can I buy Pentyl 2-(7-butyl-3-methyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate?
You can request a quote for Pentyl 2-(7-butyl-3-methyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 2-(7-butyl-3-methyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 2-(7-butyl-3-methyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.