(E)-3-(3-carboxyacrylamido)benzoic acid
TL;DR: (E)-3-(3-carboxyacrylamido)benzoic acid (CAS 36847-92-4) 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.
3-(3-carboxyprop-2-enoylamino)benzoic acid
Also Known As: 3-(3-carboxyacrylamido)benzoic acid, (E)-3-(3-carboxyacrylamido)benzoic acid, BAS 00284520, 3-[(2E)-3-carboxyprop-2-enamido]benzoic acid, 3-(3-CARBOXYPROP-2-ENOYLAMINO)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 | 350.0 |
Chemical Identifiers
| CAS Number | 36847-92-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C=CC(=O)O)C(=O)O |
| InChIKey | UXIAYWKXDXAWJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E)-3-(3-carboxyacrylamido)benzoic acid (CAS 36847-92-4), with molecular formula C11H9NO5 and molecular weight 235.05 g/mol. IUPAC: 3-(3-carboxyprop-2-enoylamino)benzoic acid.
Chemical Property Profile of (E)-3-(3-carboxyacrylamido)benzoic acid
Property Insights of (E)-3-(3-carboxyacrylamido)benzoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(3-carboxyacrylamido)benzoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3-carboxyacrylamido)benzoic acid. Following Lipinski's Rule of Five, (E)-3-(3-carboxyacrylamido)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 (E)-3-(3-carboxyacrylamido)benzoic acid?
The CAS number of (E)-3-(3-carboxyacrylamido)benzoic acid is 36847-92-4.
What is the molecular formula of (E)-3-(3-carboxyacrylamido)benzoic acid?
The molecular formula of (E)-3-(3-carboxyacrylamido)benzoic acid is C11H9NO5.
What is the molecular weight of (E)-3-(3-carboxyacrylamido)benzoic acid?
The molecular weight of (E)-3-(3-carboxyacrylamido)benzoic acid is 235.05 g/mol.
Where can I buy (E)-3-(3-carboxyacrylamido)benzoic acid?
You can request a quote for (E)-3-(3-carboxyacrylamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(3-carboxyacrylamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3-carboxyacrylamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.