4-Amino-2-hydroxy-benzoic acid benzyl ester
TL;DR: 4-Amino-2-hydroxy-benzoic acid benzyl ester (CAS 21546-03-2) is a chemical compound with molecular formula C14H13NO3 and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-amino-2-hydroxybenzoate
Also Known As: Benzyl-PAS, benzyl 4-amino-2-hydroxybenzoate, 4-Amino-2-hydroxy-benzoic acid benzyl ester, benzyl 4-amino-2-hydroxy-benzoate, 4-Aminosalicylic acid bennzyl ester
| Molecular Formula | C14H13NO3 |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.08954 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 21546-03-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=C(C=C(C=C2)N)O |
| InChIKey | CZAAMPINPSQRLM-UHFFFAOYSA-N |
Product Overview
4-Amino-2-hydroxy-benzoic acid benzyl ester (CAS 21546-03-2), with molecular formula C14H13NO3 and molecular weight 243.09 g/mol. IUPAC: benzyl 4-amino-2-hydroxybenzoate.
Chemical Property Profile of 4-Amino-2-hydroxy-benzoic acid benzyl ester
Property Insights of 4-Amino-2-hydroxy-benzoic acid benzyl ester
The XLogP value of 3.1 indicates that 4-Amino-2-hydroxy-benzoic acid benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-hydroxy-benzoic acid benzyl ester. Following Lipinski's Rule of Five, 4-Amino-2-hydroxy-benzoic acid benzyl 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 4-Amino-2-hydroxy-benzoic acid benzyl ester?
The CAS number of 4-Amino-2-hydroxy-benzoic acid benzyl ester is 21546-03-2.
What is the molecular formula of 4-Amino-2-hydroxy-benzoic acid benzyl ester?
The molecular formula of 4-Amino-2-hydroxy-benzoic acid benzyl ester is C14H13NO3.
What is the molecular weight of 4-Amino-2-hydroxy-benzoic acid benzyl ester?
The molecular weight of 4-Amino-2-hydroxy-benzoic acid benzyl ester is 243.09 g/mol.
Where can I buy 4-Amino-2-hydroxy-benzoic acid benzyl ester?
You can request a quote for 4-Amino-2-hydroxy-benzoic acid benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2-hydroxy-benzoic acid benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-hydroxy-benzoic acid benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.