4'-Ethylphthalanilic acid
TL;DR: 4'-Ethylphthalanilic acid (CAS 17332-33-1) 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.
2-[(4-ethylphenyl)carbamoyl]benzoic acid
Also Known As: 2-((4-ethylphenyl)carbamoyl)benzoic acid, 4'-ethylphthalanilic acid, 2-[(4-ethylphenyl)carbamoyl]benzoic acid, IFLab1_003382, 2-((4-ethylphenyl)carbamoyl)benzoicacid
| Molecular Formula | C16H15NO3 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.1052 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 17332-33-1 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | HLLZBPDMTSWBDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Ethylphthalanilic acid (CAS 17332-33-1), with molecular formula C16H15NO3 and molecular weight 269.11 g/mol. IUPAC: 2-[(4-ethylphenyl)carbamoyl]benzoic acid.
Chemical Property Profile of 4'-Ethylphthalanilic acid
Property Insights of 4'-Ethylphthalanilic acid
The XLogP value of 3.4 indicates that 4'-Ethylphthalanilic 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 4'-Ethylphthalanilic acid. Following Lipinski's Rule of Five, 4'-Ethylphthalanilic 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 4'-Ethylphthalanilic acid?
The CAS number of 4'-Ethylphthalanilic acid is 17332-33-1.
What is the molecular formula of 4'-Ethylphthalanilic acid?
The molecular formula of 4'-Ethylphthalanilic acid is C16H15NO3.
What is the molecular weight of 4'-Ethylphthalanilic acid?
The molecular weight of 4'-Ethylphthalanilic acid is 269.11 g/mol.
Where can I buy 4'-Ethylphthalanilic acid?
You can request a quote for 4'-Ethylphthalanilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Ethylphthalanilic acid?
Yes, KEHONG BIO provides custom synthesis services for 4'-Ethylphthalanilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.