Benzoic acid, 4-amino-2-hydroxy-, ethyl ester
TL;DR: Benzoic acid, 4-amino-2-hydroxy-, ethyl ester (CAS 6059-17-2) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-hydroxybenzoate
Also Known As: Ethyl 4-amino-2-hydroxybenzoate, Pas ethyl ester, Pas aethyl ester, Ethyl p-aminosalicylate, Ethyl 4-aminosalicylate
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 6059-17-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(C=C1)N)O |
| InChIKey | BEZQTEBPMMEPNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-amino-2-hydroxy-, ethyl ester (CAS 6059-17-2), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: ethyl 4-amino-2-hydroxybenzoate.
Chemical Property Profile of Benzoic acid, 4-amino-2-hydroxy-, ethyl ester
Property Insights of Benzoic acid, 4-amino-2-hydroxy-, ethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-amino-2-hydroxy-, ethyl ester. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-amino-2-hydroxy-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-amino-2-hydroxy-, ethyl ester has 2 hydrogen bond donor(s) and 4 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 Benzoic acid, 4-amino-2-hydroxy-, ethyl ester?
The CAS number of Benzoic acid, 4-amino-2-hydroxy-, ethyl ester is 6059-17-2.
What is the molecular formula of Benzoic acid, 4-amino-2-hydroxy-, ethyl ester?
The molecular formula of Benzoic acid, 4-amino-2-hydroxy-, ethyl ester is C9H11NO3.
What is the molecular weight of Benzoic acid, 4-amino-2-hydroxy-, ethyl ester?
The molecular weight of Benzoic acid, 4-amino-2-hydroxy-, ethyl ester is 181.07 g/mol.
Where can I buy Benzoic acid, 4-amino-2-hydroxy-, ethyl ester?
You can request a quote for Benzoic acid, 4-amino-2-hydroxy-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-amino-2-hydroxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-amino-2-hydroxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.