Ethyl 3-aminobenzoate
TL;DR: Ethyl 3-aminobenzoate (CAS 582-33-2) 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 3-aminobenzoate
Also Known As: Ethyl 3-aminobenzoate, Tricaine, 3-Aminobenzoic acid ethyl ester, m-Ethoxycarbonylaniline, 3-(Ethoxycarbonyl)aniline
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 1.8 |
| 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 |
Chemical Identifiers
| CAS Number | 582-33-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)N |
| InChIKey | ZMCBYSBVJIMENC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-aminobenzoate (CAS 582-33-2), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: ethyl 3-aminobenzoate.
Chemical Property Profile of Ethyl 3-aminobenzoate
Property Insights of Ethyl 3-aminobenzoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-aminobenzoate. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 3-aminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-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 3-aminobenzoate?
The CAS number of Ethyl 3-aminobenzoate is 582-33-2.
What is the molecular formula of Ethyl 3-aminobenzoate?
The molecular formula of Ethyl 3-aminobenzoate is C9H11NO2.
What is the molecular weight of Ethyl 3-aminobenzoate?
The molecular weight of Ethyl 3-aminobenzoate is 165.08 g/mol.
Where can I buy Ethyl 3-aminobenzoate?
You can request a quote for Ethyl 3-aminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.