![3-[(3-Phenylpropanoyl)amino]benzoic acid structure](/static/products/4468/446829-08-9.webp)
3-[(3-Phenylpropanoyl)amino]benzoic acid
TL;DR: 3-[(3-Phenylpropanoyl)amino]benzoic acid (CAS 446829-08-9) is a chemical compound with molecular formula C16H15NO3 and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-phenylpropanoylamino)benzoic acid
Also Known As: 3-[(3-PHENYLPROPANOYL)AMINO]BENZOIC ACID, 3-(3-phenylpropanamido)benzoic acid, 3-(3-phenylpropanoylamino)benzoic Acid, Ethoxy-<2-hydroxy-ethoxy>-methan, 3-(3-phenylpropionylamino)benzoic acid
| Molecular Formula | C16H15NO3 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.1052 |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 446829-08-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)NC2=CC=CC(=C2)C(=O)O |
| InChIKey | SCVWMUGDUMGWEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[(3-Phenylpropanoyl)amino]benzoic acid (CAS 446829-08-9), with molecular formula C16H15NO3 and molecular weight 269.11 g/mol. IUPAC: 3-(3-phenylpropanoylamino)benzoic acid.
Chemical Property Profile of 3-[(3-Phenylpropanoyl)amino]benzoic acid
Property Insights of 3-[(3-Phenylpropanoyl)amino]benzoic acid
The XLogP value of 3.2 indicates that 3-[(3-Phenylpropanoyl)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-[(3-Phenylpropanoyl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[(3-Phenylpropanoyl)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
Frequently Asked Questions
What is the CAS number of 3-[(3-Phenylpropanoyl)amino]benzoic acid?
The CAS number of 3-[(3-Phenylpropanoyl)amino]benzoic acid is 446829-08-9.
What is the molecular formula of 3-[(3-Phenylpropanoyl)amino]benzoic acid?
The molecular formula of 3-[(3-Phenylpropanoyl)amino]benzoic acid is C16H15NO3.
What is the molecular weight of 3-[(3-Phenylpropanoyl)amino]benzoic acid?
The molecular weight of 3-[(3-Phenylpropanoyl)amino]benzoic acid is 269.11 g/mol.
Where can I buy 3-[(3-Phenylpropanoyl)amino]benzoic acid?
You can request a quote for 3-[(3-Phenylpropanoyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-Phenylpropanoyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Phenylpropanoyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.