![3-{[(E)-3-Phenyl-2-propenoyl]amino}benzoic acid structure](/static/products/1141/1141057-92-2.webp)
3-{[(E)-3-Phenyl-2-propenoyl]amino}benzoic acid
TL;DR: 3-{[(E)-3-Phenyl-2-propenoyl]amino}benzoic acid (CAS 1141057-92-2) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-phenylprop-2-enoylamino)benzoic acid
Also Known As: 3-cinnamamidobenzoic acid, 3-(Cinnamoylamino)benzoic acid, BAS 00898424, 3-(3-phenylprop-2-enoylamino)benzoic acid, 3-{[(E)-3-Phenyl-2-propenoyl]amino}benzoic acid
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H13NO3 |
| Molecular Weight | 267.08954 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.08954 Da |
| Heavy Atoms | 20 |
| Complexity | 372.0 |
| SMILES | C1=CC=C(C=C1)C=CC(=O)NC2=CC=CC(=C2)C(=O)O |
| InChIKey | RYDHSPJJPLZJMX-UHFFFAOYSA-N |
Chemical Property Profile of 3-{[(E)-3-Phenyl-2-propenoyl]amino}benzoic acid
Property Insights of 3-{[(E)-3-Phenyl-2-propenoyl]amino}benzoic acid
The XLogP value of 3.1 indicates that 3-{[(E)-3-Phenyl-2-propenoyl]amino}benzoic 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 3-{[(E)-3-Phenyl-2-propenoyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(E)-3-Phenyl-2-propenoyl]amino}benzoic 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
What is the CAS number of 3-{[(E)-3-Phenyl-2-propenoyl]amino}benzoic acid?
The CAS number of 3-{[(E)-3-Phenyl-2-propenoyl]amino}benzoic acid is 1141057-92-2.
What is the molecular formula of 3-{[(E)-3-Phenyl-2-propenoyl]amino}benzoic acid?
The molecular formula of 3-{[(E)-3-Phenyl-2-propenoyl]amino}benzoic acid is C16H13NO3.
What is the molecular weight of 3-{[(E)-3-Phenyl-2-propenoyl]amino}benzoic acid?
The molecular weight of 3-{[(E)-3-Phenyl-2-propenoyl]amino}benzoic acid is 267.08954 g/mol.
Where can I buy 3-{[(E)-3-Phenyl-2-propenoyl]amino}benzoic acid?
You can request a quote for 3-{[(E)-3-Phenyl-2-propenoyl]amino}benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-{[(E)-3-Phenyl-2-propenoyl]amino}benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-{[(E)-3-Phenyl-2-propenoyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.