![4-Chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid structure](/static/products/9975/99754-06-0.webp)
4-Chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid
TL;DR: 4-Chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid (CAS 99754-06-0) is a chemical compound with molecular formula C21H22ClNO3 and molecular weight 371.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid
Also Known As: Ono-RS-082, Ono-RS 082, (E/Z)-ONO-RS-082, 2-(4-amylcinnamoyl)amino-4-chlorobenzoic acid, 2-[p-amylcinnamoyl]amino-4-chlorobenzoic acid
| Molecular Formula | C21H22ClNO3 |
|---|---|
| Molecular Weight | 371.13 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.1288 |
| Heavy Atoms | 26 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 99754-06-0 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O |
| InChIKey | MDVFITMPFHDRBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid (CAS 99754-06-0), with molecular formula C21H22ClNO3 and molecular weight 371.13 g/mol. IUPAC: 4-chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid.
Chemical Property Profile of 4-Chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid
Property Insights of 4-Chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid
The XLogP value of 6.3 indicates that 4-Chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]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 4-Chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid. Following Lipinski's Rule of Five, 4-Chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid?
The CAS number of 4-Chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid is 99754-06-0.
What is the molecular formula of 4-Chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid?
The molecular formula of 4-Chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid is C21H22ClNO3.
What is the molecular weight of 4-Chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid?
The molecular weight of 4-Chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid is 371.13 g/mol.
Where can I buy 4-Chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid?
You can request a quote for 4-Chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.