ME 2-((7-Hexyl-3-ME-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)thio)propanoate
TL;DR: ME 2-((7-Hexyl-3-ME-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)thio)propanoate (CAS 476481-84-2) 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.
methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate
Also Known As: methyl 2-[(7-hexyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoate, methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate, ME 2-((7-Hexyl-3-ME-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)thio)propanoate, Methyl 2-((7-hexyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate, methyl 2-(7-hexyl-3-methyl-2,6-dioxo-1,3,7-trihydropurin-8-ylthio)propanoate
| Molecular Formula | C16H24N4O4S |
|---|---|
| Molecular Weight | 368.15 g/mol |
| LogP | 1.6572 |
| 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 | 867.3675 |
Chemical Identifiers
| CAS Number | 476481-84-2 |
|---|---|
| SMILES | CCCCCCN1C2=C(N=C1SC(C)C(=O)OC)N(C(=O)NC2=O)C |
Product Overview
ME 2-((7-Hexyl-3-ME-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)thio)propanoate (CAS 476481-84-2), with molecular formula C16H24N4O4S and molecular weight 368.15 g/mol. IUPAC: methyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate.
Chemical Property Profile of ME 2-((7-Hexyl-3-ME-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)thio)propanoate
Property Insights of ME 2-((7-Hexyl-3-ME-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)thio)propanoate
The XLogP value of 1.6572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ME 2-((7-Hexyl-3-ME-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)thio)propanoate. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ME 2-((7-Hexyl-3-ME-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)thio)propanoate. Following Lipinski's Rule of Five, ME 2-((7-Hexyl-3-ME-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)thio)propanoate 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 ME 2-((7-Hexyl-3-ME-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)thio)propanoate?
The CAS number of ME 2-((7-Hexyl-3-ME-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)thio)propanoate is 476481-84-2.
What is the molecular formula of ME 2-((7-Hexyl-3-ME-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)thio)propanoate?
The molecular formula of ME 2-((7-Hexyl-3-ME-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)thio)propanoate is C16H24N4O4S.
What is the molecular weight of ME 2-((7-Hexyl-3-ME-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)thio)propanoate?
The molecular weight of ME 2-((7-Hexyl-3-ME-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)thio)propanoate is 368.15 g/mol.
Where can I buy ME 2-((7-Hexyl-3-ME-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)thio)propanoate?
You can request a quote for ME 2-((7-Hexyl-3-ME-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)thio)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ME 2-((7-Hexyl-3-ME-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)thio)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ME 2-((7-Hexyl-3-ME-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)thio)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.