![3-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}benzoic acid structure](/static/products/1379/13791-80-5.webp)
3-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}benzoic acid
TL;DR: 3-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}benzoic acid (CAS 13791-80-5) is a chemical compound with molecular formula C17H16ClNO4 and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoic acid
Also Known As: CBKinase1_010934, CBKinase1_023334, 3-{[2-(4-chloro-2-methylphenoxy)propanoyl]amino}benzoic acid, BRD-A04966297-001-01-5, 3-(2-(4-chloro-2-methylphenoxy)propanamido)benzoic acid
| Molecular Formula | C17H16ClNO4 |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 3.75262 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.07678 |
| Heavy Atoms | 23 |
| Complexity | 745.1233 |
Chemical Identifiers
| CAS Number | 13791-80-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=CC=CC(=C2)C(=O)O |
Product Overview
3-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}benzoic acid (CAS 13791-80-5), with molecular formula C17H16ClNO4 and molecular weight 333.08 g/mol. IUPAC: 3-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoic acid.
Chemical Property Profile of 3-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}benzoic acid
Property Insights of 3-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}benzoic acid
The XLogP value of 3.75262 indicates that 3-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}benzoic 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-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}benzoic acid?
The CAS number of 3-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}benzoic acid is 13791-80-5.
What is the molecular formula of 3-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}benzoic acid?
The molecular formula of 3-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}benzoic acid is C17H16ClNO4.
What is the molecular weight of 3-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}benzoic acid?
The molecular weight of 3-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}benzoic acid is 333.08 g/mol.
Where can I buy 3-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}benzoic acid?
You can request a quote for 3-{[2-(4-Chloro-2-methylphenoxy)propanoyl]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 3-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.