4-(3-Carboxyprop-2-enamido)benzoic acid
TL;DR: 4-(3-Carboxyprop-2-enamido)benzoic acid (CAS 5432-04-2) is a chemical compound with molecular formula C11H9NO5 and molecular weight 235.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-carboxyprop-2-enoylamino)benzoic acid
Also Known As: 4-(3-carboxyacrylamido)benzoic acid, 4-(3-Carboxyprop-2-enoylamino)benzoic acid, (Z)-4-(3-carboxyacrylamido)benzoic acid, 4-(3-CARBOXYPROP-2-ENAMIDO)BENZOIC ACID, (E)-4-(3-carboxyacrylamido)benzoic acid
| Molecular Formula | C11H9NO5 |
|---|---|
| Molecular Weight | 235.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.04807 |
| Heavy Atoms | 17 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 5432-04-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC(=O)C=CC(=O)O |
| InChIKey | KDCFOKATFSLHQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-Carboxyprop-2-enamido)benzoic acid (CAS 5432-04-2), with molecular formula C11H9NO5 and molecular weight 235.05 g/mol. IUPAC: 4-(3-carboxyprop-2-enoylamino)benzoic acid.
Chemical Property Profile of 4-(3-Carboxyprop-2-enamido)benzoic acid
Property Insights of 4-(3-Carboxyprop-2-enamido)benzoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Carboxyprop-2-enamido)benzoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Carboxyprop-2-enamido)benzoic acid. Following Lipinski's Rule of Five, 4-(3-Carboxyprop-2-enamido)benzoic acid has 3 hydrogen bond donor(s) and 5 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-(3-Carboxyprop-2-enamido)benzoic acid?
The CAS number of 4-(3-Carboxyprop-2-enamido)benzoic acid is 5432-04-2.
What is the molecular formula of 4-(3-Carboxyprop-2-enamido)benzoic acid?
The molecular formula of 4-(3-Carboxyprop-2-enamido)benzoic acid is C11H9NO5.
What is the molecular weight of 4-(3-Carboxyprop-2-enamido)benzoic acid?
The molecular weight of 4-(3-Carboxyprop-2-enamido)benzoic acid is 235.05 g/mol.
Where can I buy 4-(3-Carboxyprop-2-enamido)benzoic acid?
You can request a quote for 4-(3-Carboxyprop-2-enamido)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-(3-Carboxyprop-2-enamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Carboxyprop-2-enamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.