Ethyl 4-amino-3-benzyl-5-cyano-2-hydroxybenzoate
TL;DR: Ethyl 4-amino-3-benzyl-5-cyano-2-hydroxybenzoate (CAS 126952-88-3) is a chemical compound with molecular formula C17H16N2O3 and molecular weight 296.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-3-benzyl-5-cyano-2-hydroxybenzoate
Also Known As: ethyl 4-amino-3-benzyl-5-cyano-2-hydroxybenzoate, Ethyl 4-amino-3-benzyl-5-cyano-2-hydroxy-benzoate, 4-amino-3-benzyl-5-cyano-2-hydroxy-benzoic acid ethyl ester
| Molecular Formula | C17H16N2O3 |
|---|---|
| Molecular Weight | 296.12 g/mol |
| LogP | 2.61358 |
| Topological Polar Surface Area | 96.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.1161 |
| Heavy Atoms | 22 |
| Complexity | 733.8046 |
Chemical Identifiers
| CAS Number | 126952-88-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(C(=C1)C#N)N)CC2=CC=CC=C2)O |
Product Overview
Ethyl 4-amino-3-benzyl-5-cyano-2-hydroxybenzoate (CAS 126952-88-3), with molecular formula C17H16N2O3 and molecular weight 296.12 g/mol. IUPAC: ethyl 4-amino-3-benzyl-5-cyano-2-hydroxybenzoate.
Chemical Property Profile of Ethyl 4-amino-3-benzyl-5-cyano-2-hydroxybenzoate
Property Insights of Ethyl 4-amino-3-benzyl-5-cyano-2-hydroxybenzoate
The XLogP value of 2.61358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-amino-3-benzyl-5-cyano-2-hydroxybenzoate. The TPSA of 96.34 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-amino-3-benzyl-5-cyano-2-hydroxybenzoate. Following Lipinski's Rule of Five, Ethyl 4-amino-3-benzyl-5-cyano-2-hydroxybenzoate has 2 hydrogen bond donor(s) and 5 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 4-amino-3-benzyl-5-cyano-2-hydroxybenzoate?
The CAS number of Ethyl 4-amino-3-benzyl-5-cyano-2-hydroxybenzoate is 126952-88-3.
What is the molecular formula of Ethyl 4-amino-3-benzyl-5-cyano-2-hydroxybenzoate?
The molecular formula of Ethyl 4-amino-3-benzyl-5-cyano-2-hydroxybenzoate is C17H16N2O3.
What is the molecular weight of Ethyl 4-amino-3-benzyl-5-cyano-2-hydroxybenzoate?
The molecular weight of Ethyl 4-amino-3-benzyl-5-cyano-2-hydroxybenzoate is 296.12 g/mol.
Where can I buy Ethyl 4-amino-3-benzyl-5-cyano-2-hydroxybenzoate?
You can request a quote for Ethyl 4-amino-3-benzyl-5-cyano-2-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-amino-3-benzyl-5-cyano-2-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-3-benzyl-5-cyano-2-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.