3-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid
TL;DR: 3-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid (CAS 371780-33-5) 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.
3-(3-methyl-7-nonyl-2,6-dioxopurin-8-yl)sulfanylpropanoic acid
Also Known As: 3-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid, 3-(3-methyl-7-nonyl-2,6-dioxopurin-8-yl)sulfanylpropanoic acid, 3-((3-methyl-7-nonyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoic acid, 3-[(3-methyl-7-nonyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoic acid
| Molecular Formula | C18H28N4O4S |
|---|---|
| Molecular Weight | 396.18 g/mol |
| LogP | 2.7407 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 396.18314 |
| Heavy Atoms | 27 |
| Complexity | 883.8396 |
Chemical Identifiers
| CAS Number | 371780-33-5 |
|---|---|
| SMILES | CCCCCCCCCN1C2=C(N=C1SCCC(=O)O)N(C(=O)NC2=O)C |
Product Overview
3-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid (CAS 371780-33-5), with molecular formula C18H28N4O4S and molecular weight 396.18 g/mol. IUPAC: 3-(3-methyl-7-nonyl-2,6-dioxopurin-8-yl)sulfanylpropanoic acid.
Chemical Property Profile of 3-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid
Property Insights of 3-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid
The XLogP value of 2.7407 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid. Following Lipinski's Rule of Five, 3-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid has 2 hydrogen bond donor(s) and 5 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 3-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid?
The CAS number of 3-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid is 371780-33-5.
What is the molecular formula of 3-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid?
The molecular formula of 3-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid is C18H28N4O4S.
What is the molecular weight of 3-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid?
The molecular weight of 3-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid is 396.18 g/mol.
Where can I buy 3-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid?
You can request a quote for 3-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.