4-Cinnamamidobenzoic acid
TL;DR: 4-Cinnamamidobenzoic acid (CAS 5417-31-2) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
Also Known As: 4-CINNAMAMIDOBENZOIC ACID, 4-Cinnamoylamino-benzoesaeure, 4-CINNAMAMIDOBENZOICACID, 4-(3-phenylprop-2-enamido)benzoic acid, 4-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 5417-31-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)C(=O)O |
| InChIKey | NLLZCFFEAPFEJG-IZZDOVSWSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Cinnamamidobenzoic acid (CAS 5417-31-2), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: 4-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of 4-Cinnamamidobenzoic acid
Property Insights of 4-Cinnamamidobenzoic acid
The XLogP value of 3.1 indicates that 4-Cinnamamidobenzoic 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-Cinnamamidobenzoic acid. Following Lipinski's Rule of Five, 4-Cinnamamidobenzoic 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 4-Cinnamamidobenzoic acid?
The CAS number of 4-Cinnamamidobenzoic acid is 5417-31-2.
What is the molecular formula of 4-Cinnamamidobenzoic acid?
The molecular formula of 4-Cinnamamidobenzoic acid is C16H13NO3.
What is the molecular weight of 4-Cinnamamidobenzoic acid?
The molecular weight of 4-Cinnamamidobenzoic acid is 267.09 g/mol.
Where can I buy 4-Cinnamamidobenzoic acid?
You can request a quote for 4-Cinnamamidobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cinnamamidobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Cinnamamidobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.