Ethyl 4-amino-5-cyano-2-hydroxy-3-methoxybenzoate
TL;DR: Ethyl 4-amino-5-cyano-2-hydroxy-3-methoxybenzoate (CAS 126930-25-4) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-5-cyano-2-hydroxy-3-methoxybenzoate
Also Known As: Ethyl 4-amino-5-cyano-2-hydroxy-3-methoxy-benzoate, ethyl 4-amino-5-cyano-2-hydroxy-3-methoxybenzoate, 4-amino-5-cyano-2-hydroxy-3-methoxy-benzoic acid ethyl ester
| Molecular Formula | C11H12N2O4 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 1.03138 |
| Topological Polar Surface Area | 105.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.07971 |
| Heavy Atoms | 17 |
| Complexity | 491.22528 |
Chemical Identifiers
| CAS Number | 126930-25-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(C(=C1)C#N)N)OC)O |
Product Overview
Ethyl 4-amino-5-cyano-2-hydroxy-3-methoxybenzoate (CAS 126930-25-4), with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol. IUPAC: ethyl 4-amino-5-cyano-2-hydroxy-3-methoxybenzoate.
Chemical Property Profile of Ethyl 4-amino-5-cyano-2-hydroxy-3-methoxybenzoate
Property Insights of Ethyl 4-amino-5-cyano-2-hydroxy-3-methoxybenzoate
The XLogP value of 1.03138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-amino-5-cyano-2-hydroxy-3-methoxybenzoate. The TPSA of 105.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-amino-5-cyano-2-hydroxy-3-methoxybenzoate. Following Lipinski's Rule of Five, Ethyl 4-amino-5-cyano-2-hydroxy-3-methoxybenzoate has 2 hydrogen bond donor(s) and 6 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-5-cyano-2-hydroxy-3-methoxybenzoate?
The CAS number of Ethyl 4-amino-5-cyano-2-hydroxy-3-methoxybenzoate is 126930-25-4.
What is the molecular formula of Ethyl 4-amino-5-cyano-2-hydroxy-3-methoxybenzoate?
The molecular formula of Ethyl 4-amino-5-cyano-2-hydroxy-3-methoxybenzoate is C11H12N2O4.
What is the molecular weight of Ethyl 4-amino-5-cyano-2-hydroxy-3-methoxybenzoate?
The molecular weight of Ethyl 4-amino-5-cyano-2-hydroxy-3-methoxybenzoate is 236.08 g/mol.
Where can I buy Ethyl 4-amino-5-cyano-2-hydroxy-3-methoxybenzoate?
You can request a quote for Ethyl 4-amino-5-cyano-2-hydroxy-3-methoxybenzoate 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-5-cyano-2-hydroxy-3-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-5-cyano-2-hydroxy-3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.