2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid
TL;DR: 2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid (CAS 127289-95-6) 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-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid
Also Known As: Ono-RS-082, Ono-RS 082, 2-(4-amylcinnamoyl)amino-4-chlorobenzoic acid, ONO-RRS 082, 4-Chloro-2-(3-(4-pentylphenyl)acrylamido)benzoic acid
| Molecular Formula | C21H22ClNO3 |
|---|---|
| Molecular Weight | 371.13 g/mol |
| LogP | 5.4228 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.1288 |
| Heavy Atoms | 26 |
| Complexity | 797.4035 |
Chemical Identifiers
| CAS Number | 127289-95-6 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)Cl)C(=O)O |
Product Overview
2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid (CAS 127289-95-6), with molecular formula C21H22ClNO3 and molecular weight 371.13 g/mol. IUPAC: 4-chloro-2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of 2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid
Property Insights of 2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid
The XLogP value of 5.4228 indicates that 2-(4-Amylcinnamoyl)amino-4-chlorobenzoic 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 2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid. Following Lipinski's Rule of Five, 2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid?
The CAS number of 2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid is 127289-95-6.
What is the molecular formula of 2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid?
The molecular formula of 2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid is C21H22ClNO3.
What is the molecular weight of 2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid?
The molecular weight of 2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid is 371.13 g/mol.
Where can I buy 2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid?
You can request a quote for 2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.