Pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate
TL;DR: Pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate (CAS 369608-67-3) is a chemical compound with molecular formula C16H24N4O4S and molecular weight 368.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate
Also Known As: BAS 00552982, AB00667667-01, pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate, F0373-0834, pentyl [(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio]acetate
| Molecular Formula | C16H24N4O4S |
|---|---|
| Molecular Weight | 368.15 g/mol |
| LogP | 1.8297 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 368.15182 |
| Heavy Atoms | 25 |
| Complexity | 865.3675 |
Chemical Identifiers
| CAS Number | 369608-67-3 |
|---|---|
| SMILES | CCCCCOC(=O)CSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C |
Product Overview
Pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate (CAS 369608-67-3), with molecular formula C16H24N4O4S and molecular weight 368.15 g/mol. IUPAC: pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate.
Chemical Property Profile of Pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate
Property Insights of Pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate
The XLogP value of 1.8297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate. Following Lipinski's Rule of Five, Pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate 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-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate?
The CAS number of Pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate is 369608-67-3.
What is the molecular formula of Pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate?
The molecular formula of Pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate is C16H24N4O4S.
What is the molecular weight of Pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate?
The molecular weight of Pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate is 368.15 g/mol.
Where can I buy Pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate?
You can request a quote for Pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.