Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate
TL;DR: Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate (CAS 384372-75-2) is a chemical compound with molecular formula C18H28N4O4S and molecular weight 396.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate
Also Known As: AB00685699-01, methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate, F1167-0122, methyl 2-((3-methyl-7-octyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate, Methyl 2-(3-methyl-7-octyl-2,6-dioxo-purin-8-yl)sulfanylpropanoate
| Molecular Formula | C18H28N4O4S |
|---|---|
| Molecular Weight | 396.18 g/mol |
| LogP | 2.4374 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 396.18314 |
| Heavy Atoms | 27 |
| Complexity | 899.12427 |
Chemical Identifiers
| CAS Number | 384372-75-2 |
|---|---|
| SMILES | CCCCCCCCN1C2=C(N=C1SC(C)C(=O)OC)N(C(=O)NC2=O)C |
Product Overview
Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate (CAS 384372-75-2), with molecular formula C18H28N4O4S and molecular weight 396.18 g/mol. IUPAC: methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate.
Chemical Property Profile of Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate
Property Insights of Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate
The XLogP value of 2.4374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate. Following Lipinski's Rule of Five, Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate 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-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate?
The CAS number of Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate is 384372-75-2.
What is the molecular formula of Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate?
The molecular formula of Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate is C18H28N4O4S.
What is the molecular weight of Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate?
The molecular weight of Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate is 396.18 g/mol.
Where can I buy Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate?
You can request a quote for Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.