Methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate
TL;DR: Methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate (CAS 500273-39-2) is a chemical compound with molecular formula C15H22N4O4S and molecular weight 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate
Also Known As: UPCMLD0ENAT5834949:001, BAS 04914737, methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate, AB00429618-05, AB00429618-10
| Molecular Formula | C15H22N4O4S |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 1.2687 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 354.13617 |
| Heavy Atoms | 24 |
| Complexity | 836.3372 |
Chemical Identifiers
| CAS Number | 500273-39-2 |
|---|---|
| SMILES | CCCCCCN1C2=C(N=C1SCC(=O)OC)N(C(=O)NC2=O)C |
Product Overview
Methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate (CAS 500273-39-2), with molecular formula C15H22N4O4S and molecular weight 354.14 g/mol. IUPAC: methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate.
Chemical Property Profile of Methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate
Property Insights of Methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate
The XLogP value of 1.2687 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate. Following Lipinski's Rule of Five, Methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-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 Methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate?
The CAS number of Methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate is 500273-39-2.
What is the molecular formula of Methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate?
The molecular formula of Methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate is C15H22N4O4S.
What is the molecular weight of Methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate?
The molecular weight of Methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate is 354.14 g/mol.
Where can I buy Methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate?
You can request a quote for Methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-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 Methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.