![3-(Azepan-1-yl)-4-[(4-chlorophenyl)amino]-4-oxobutanoic acid structure](/static/products/876/876894-33-6.png)
3-(Azepan-1-yl)-4-[(4-chlorophenyl)amino]-4-oxobutanoic acid
TL;DR: 3-(Azepan-1-yl)-4-[(4-chlorophenyl)amino]-4-oxobutanoic acid (CAS 876894-33-6) is a chemical compound with molecular formula C16H21ClN2O3 and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-yl)-4-(4-chloroanilino)-4-oxobutanoic acid
Also Known As: BAS 11403200, 3-(azepan-1-yl)-4-[(4-chlorophenyl)amino]-4-oxobutanoic acid, 3-(azepan-1-yl)-4-(4-chloroanilino)-4-oxobutanoic acid, 3-Azepan-1-yl-N-(4-chloro-phenyl)-succinamic acid, 3-(AZEPAN-1-YL)-3-[(4-CHLOROPHENYL)CARBAMOYL]PROPANOIC ACID
| Molecular Formula | C16H21ClN2O3 |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | 2.9978 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.12408 |
| Heavy Atoms | 22 |
| Complexity | 510.62714 |
Chemical Identifiers
| CAS Number | 876894-33-6 |
|---|---|
| SMILES | C1CCCN(CC1)C(CC(=O)O)C(=O)NC2=CC=C(C=C2)Cl |
Product Overview
3-(Azepan-1-yl)-4-[(4-chlorophenyl)amino]-4-oxobutanoic acid (CAS 876894-33-6), with molecular formula C16H21ClN2O3 and molecular weight 324.12 g/mol. IUPAC: 3-(azepan-1-yl)-4-(4-chloroanilino)-4-oxobutanoic acid.
Chemical Property Profile of 3-(Azepan-1-yl)-4-[(4-chlorophenyl)amino]-4-oxobutanoic acid
Property Insights of 3-(Azepan-1-yl)-4-[(4-chlorophenyl)amino]-4-oxobutanoic acid
The XLogP value of 2.9978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Azepan-1-yl)-4-[(4-chlorophenyl)amino]-4-oxobutanoic acid. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Azepan-1-yl)-4-[(4-chlorophenyl)amino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 3-(Azepan-1-yl)-4-[(4-chlorophenyl)amino]-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 3-(Azepan-1-yl)-4-[(4-chlorophenyl)amino]-4-oxobutanoic acid?
The CAS number of 3-(Azepan-1-yl)-4-[(4-chlorophenyl)amino]-4-oxobutanoic acid is 876894-33-6.
What is the molecular formula of 3-(Azepan-1-yl)-4-[(4-chlorophenyl)amino]-4-oxobutanoic acid?
The molecular formula of 3-(Azepan-1-yl)-4-[(4-chlorophenyl)amino]-4-oxobutanoic acid is C16H21ClN2O3.
What is the molecular weight of 3-(Azepan-1-yl)-4-[(4-chlorophenyl)amino]-4-oxobutanoic acid?
The molecular weight of 3-(Azepan-1-yl)-4-[(4-chlorophenyl)amino]-4-oxobutanoic acid is 324.12 g/mol.
Where can I buy 3-(Azepan-1-yl)-4-[(4-chlorophenyl)amino]-4-oxobutanoic acid?
You can request a quote for 3-(Azepan-1-yl)-4-[(4-chlorophenyl)amino]-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 3-(Azepan-1-yl)-4-[(4-chlorophenyl)amino]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Azepan-1-yl)-4-[(4-chlorophenyl)amino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.