Ethyl 2-aminobenzoate
TL;DR: Ethyl 2-aminobenzoate (CAS 87-25-2) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-aminobenzoate
Also Known As: ETHYL ANTHRANILATE, Ethyl 2-aminobenzoate, Ethyl o-aminobenzoate, 2-Carboethoxyaniline, Ethylanthranilate
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
| Melting Point | 12.8 °C |
| Boiling Point | 267.8 °C at 760 mmHg |
| Density | 1.117 at 20.0 °C |
| Solubility | Insoluble (NTP, 1992) |
| Vapor Pressure | 0.00232 [mmHg] |
| Refractive Index | 1.5646 @ 20 °C; MAX ABSORPTION (ALCOHOL): 225 NM( LOG E= 4.3); 250 NM (LOG E= 3.85); 338 NM (LOG E= 3.7) |
Chemical Identifiers
| CAS Number | 87-25-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1N |
| InChIKey | TWLLPUMZVVGILS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-aminobenzoate (CAS 87-25-2), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: ethyl 2-aminobenzoate.
Chemical Property Profile of Ethyl 2-aminobenzoate
Property Insights of Ethyl 2-aminobenzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-aminobenzoate. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 2-aminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-aminobenzoate has 1 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 Ethyl 2-aminobenzoate?
The CAS number of Ethyl 2-aminobenzoate is 87-25-2.
What is the molecular formula of Ethyl 2-aminobenzoate?
The molecular formula of Ethyl 2-aminobenzoate is C9H11NO2.
What is the molecular weight of Ethyl 2-aminobenzoate?
The molecular weight of Ethyl 2-aminobenzoate is 165.08 g/mol.
Where can I buy Ethyl 2-aminobenzoate?
You can request a quote for Ethyl 2-aminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.