![5-Chloro-2-[(4-phenylbutanoyl)amino]benzoic acid structure](/static/products/6909/690980-52-0.webp)
5-Chloro-2-[(4-phenylbutanoyl)amino]benzoic acid
TL;DR: 5-Chloro-2-[(4-phenylbutanoyl)amino]benzoic acid (CAS 690980-52-0) is a chemical compound with molecular formula C17H16ClNO3 and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-(4-phenylbutanoylamino)benzoic acid
Also Known As: 5-chloro-2-(4-phenylbutanoylamino)benzoic Acid, 5-chloro-2-[(4-phenylbutanoyl)amino]benzoic acid, 5-CHLORO-2-(4-PHENYLBUTANAMIDO)BENZOIC ACID
| Molecular Formula | C17H16ClNO3 |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 3.9996 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.08188 |
| Heavy Atoms | 22 |
| Complexity | 670.8592 |
Chemical Identifiers
| CAS Number | 690980-52-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)O |
Product Overview
5-Chloro-2-[(4-phenylbutanoyl)amino]benzoic acid (CAS 690980-52-0), with molecular formula C17H16ClNO3 and molecular weight 317.08 g/mol. IUPAC: 5-chloro-2-(4-phenylbutanoylamino)benzoic acid.
Chemical Property Profile of 5-Chloro-2-[(4-phenylbutanoyl)amino]benzoic acid
Property Insights of 5-Chloro-2-[(4-phenylbutanoyl)amino]benzoic acid
The XLogP value of 3.9996 indicates that 5-Chloro-2-[(4-phenylbutanoyl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2-[(4-phenylbutanoyl)amino]benzoic acid. Following Lipinski's Rule of Five, 5-Chloro-2-[(4-phenylbutanoyl)amino]benzoic acid has 2 hydrogen bond donor(s) and 2 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 5-Chloro-2-[(4-phenylbutanoyl)amino]benzoic acid?
The CAS number of 5-Chloro-2-[(4-phenylbutanoyl)amino]benzoic acid is 690980-52-0.
What is the molecular formula of 5-Chloro-2-[(4-phenylbutanoyl)amino]benzoic acid?
The molecular formula of 5-Chloro-2-[(4-phenylbutanoyl)amino]benzoic acid is C17H16ClNO3.
What is the molecular weight of 5-Chloro-2-[(4-phenylbutanoyl)amino]benzoic acid?
The molecular weight of 5-Chloro-2-[(4-phenylbutanoyl)amino]benzoic acid is 317.08 g/mol.
Where can I buy 5-Chloro-2-[(4-phenylbutanoyl)amino]benzoic acid?
You can request a quote for 5-Chloro-2-[(4-phenylbutanoyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-[(4-phenylbutanoyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-[(4-phenylbutanoyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.