2-(3-Carboxyprop-2-enoylamino)benzoic acid
TL;DR: 2-(3-Carboxyprop-2-enoylamino)benzoic acid (CAS 107855-37-8) is a chemical compound with molecular formula C11H9NO5 and molecular weight 235.04807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(E)-3-carboxyprop-2-enoyl]amino]benzoic acid
Also Known As: 2-(3-Carboxyprop-2-enoylamino)benzoic acid, 2-(3-Carboxyacrylamido)benzoic acid, (E)-2-(3-Carboxyacrylamido)benzoic acid, 2-[[(E)-3-carboxyprop-2-enoyl]amino]benzoic acid, 2-[(2E)-3-carboxyprop-2-enamido]benzoic acid
Technical Specifications
| Molecular Formula | C11H9NO5 |
| Molecular Weight | 235.04807 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.04807 Da |
| Heavy Atoms | 17 |
| Complexity | 350.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=O)/C=C/C(=O)O |
| InChIKey | QRJVIZCSCVUXBG-AATRIKPKSA-N |
Chemical Property Profile of 2-(3-Carboxyprop-2-enoylamino)benzoic acid
Property Insights of 2-(3-Carboxyprop-2-enoylamino)benzoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Carboxyprop-2-enoylamino)benzoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Carboxyprop-2-enoylamino)benzoic acid. Following Lipinski's Rule of Five, 2-(3-Carboxyprop-2-enoylamino)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
What is the CAS number of 2-(3-Carboxyprop-2-enoylamino)benzoic acid?
The CAS number of 2-(3-Carboxyprop-2-enoylamino)benzoic acid is 107855-37-8.
What is the molecular formula of 2-(3-Carboxyprop-2-enoylamino)benzoic acid?
The molecular formula of 2-(3-Carboxyprop-2-enoylamino)benzoic acid is C11H9NO5.
What is the molecular weight of 2-(3-Carboxyprop-2-enoylamino)benzoic acid?
The molecular weight of 2-(3-Carboxyprop-2-enoylamino)benzoic acid is 235.04807 g/mol.
Where can I buy 2-(3-Carboxyprop-2-enoylamino)benzoic acid?
You can request a quote for 2-(3-Carboxyprop-2-enoylamino)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Carboxyprop-2-enoylamino)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(3-Carboxyprop-2-enoylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.