Ethyl 2-amino-3-(hydroxy(oxido)amino)benzoate
TL;DR: Ethyl 2-amino-3-(hydroxy(oxido)amino)benzoate (CAS 6152-94-9) is a chemical compound with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-3-nitrobenzoate
Also Known As: ethyl 2-amino-3-nitrobenzoate, 2-Amino-3-nitrobenzoic acid ethyl ester, Ethyl 3-nitroanthranilate, Neratinib Impurity 54, Azilsartan Impurity 91
| Molecular Formula | C9H10N2O4 |
|---|---|
| Molecular Weight | 210.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.06406 |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 6152-94-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])N |
| InChIKey | MIVXXTKDCKQHCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-amino-3-(hydroxy(oxido)amino)benzoate (CAS 6152-94-9), with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol. IUPAC: ethyl 2-amino-3-nitrobenzoate.
Chemical Property Profile of Ethyl 2-amino-3-(hydroxy(oxido)amino)benzoate
Property Insights of Ethyl 2-amino-3-(hydroxy(oxido)amino)benzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-3-(hydroxy(oxido)amino)benzoate. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-3-(hydroxy(oxido)amino)benzoate. Following Lipinski's Rule of Five, Ethyl 2-amino-3-(hydroxy(oxido)amino)benzoate has 1 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 2-amino-3-(hydroxy(oxido)amino)benzoate?
The CAS number of Ethyl 2-amino-3-(hydroxy(oxido)amino)benzoate is 6152-94-9.
What is the molecular formula of Ethyl 2-amino-3-(hydroxy(oxido)amino)benzoate?
The molecular formula of Ethyl 2-amino-3-(hydroxy(oxido)amino)benzoate is C9H10N2O4.
What is the molecular weight of Ethyl 2-amino-3-(hydroxy(oxido)amino)benzoate?
The molecular weight of Ethyl 2-amino-3-(hydroxy(oxido)amino)benzoate is 210.06 g/mol.
Where can I buy Ethyl 2-amino-3-(hydroxy(oxido)amino)benzoate?
You can request a quote for Ethyl 2-amino-3-(hydroxy(oxido)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-amino-3-(hydroxy(oxido)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-3-(hydroxy(oxido)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.