![4-[2-(1-Azepanylcarbonyl)anilino]-4-oxobutanoic acid structure](/static/products/875/875205-38-2.png)
4-[2-(1-Azepanylcarbonyl)anilino]-4-oxobutanoic acid
TL;DR: 4-[2-(1-Azepanylcarbonyl)anilino]-4-oxobutanoic acid (CAS 875205-38-2) is a chemical compound with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(azepane-1-carbonyl)anilino]-4-oxobutanoic acid
Also Known As: AN-329/43219771, 4-[2-(1-azepanylcarbonyl)anilino]-4-oxobutanoic acid, 4-[2-(azepane-1-carbonyl)anilino]-4-oxobutanoic acid, 4-((2-(azepane-1-carbonyl)phenyl)amino)-4-oxobutanoic acid, 4-{[2-(1-azepanylcarbonyl)phenyl]amino}-4-oxobutanoic acid
| Molecular Formula | C17H22N2O4 |
|---|---|
| Molecular Weight | 318.16 g/mol |
| LogP | 2.5061 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.15796 |
| Heavy Atoms | 23 |
| Complexity | 577.711 |
Chemical Identifiers
| CAS Number | 875205-38-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CCC(=O)O |
Product Overview
4-[2-(1-Azepanylcarbonyl)anilino]-4-oxobutanoic acid (CAS 875205-38-2), with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol. IUPAC: 4-[2-(azepane-1-carbonyl)anilino]-4-oxobutanoic acid.
Chemical Property Profile of 4-[2-(1-Azepanylcarbonyl)anilino]-4-oxobutanoic acid
Property Insights of 4-[2-(1-Azepanylcarbonyl)anilino]-4-oxobutanoic acid
The XLogP value of 2.5061 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(1-Azepanylcarbonyl)anilino]-4-oxobutanoic acid. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(1-Azepanylcarbonyl)anilino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[2-(1-Azepanylcarbonyl)anilino]-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 3 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 4-[2-(1-Azepanylcarbonyl)anilino]-4-oxobutanoic acid?
The CAS number of 4-[2-(1-Azepanylcarbonyl)anilino]-4-oxobutanoic acid is 875205-38-2.
What is the molecular formula of 4-[2-(1-Azepanylcarbonyl)anilino]-4-oxobutanoic acid?
The molecular formula of 4-[2-(1-Azepanylcarbonyl)anilino]-4-oxobutanoic acid is C17H22N2O4.
What is the molecular weight of 4-[2-(1-Azepanylcarbonyl)anilino]-4-oxobutanoic acid?
The molecular weight of 4-[2-(1-Azepanylcarbonyl)anilino]-4-oxobutanoic acid is 318.16 g/mol.
Where can I buy 4-[2-(1-Azepanylcarbonyl)anilino]-4-oxobutanoic acid?
You can request a quote for 4-[2-(1-Azepanylcarbonyl)anilino]-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(1-Azepanylcarbonyl)anilino]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(1-Azepanylcarbonyl)anilino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.