Methyl 2-amino-3-nitrobenzoate
TL;DR: Methyl 2-amino-3-nitrobenzoate (CAS 57113-91-4) is a chemical compound with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-3-nitrobenzoate
Also Known As: Methyl 2-amino-3-nitrobenzoate, Methyl 3-Nitroanthranilate, 2-Amino-3-nitrobenzoic acid methyl ester, 2-Amino-3-nitro-benzoic acid methyl ester, Methyl2-amino-3-nitrobenzoate
| Molecular Formula | C8H8N2O4 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.0484 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 57113-91-4 |
|---|---|
| SMILES | COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])N |
| InChIKey | HDCLJQZLTMJECA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-amino-3-nitrobenzoate (CAS 57113-91-4), with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol. IUPAC: methyl 2-amino-3-nitrobenzoate.
Chemical Property Profile of Methyl 2-amino-3-nitrobenzoate
Property Insights of Methyl 2-amino-3-nitrobenzoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-amino-3-nitrobenzoate. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-amino-3-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 2-amino-3-nitrobenzoate 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 Methyl 2-amino-3-nitrobenzoate?
The CAS number of Methyl 2-amino-3-nitrobenzoate is 57113-91-4.
What is the molecular formula of Methyl 2-amino-3-nitrobenzoate?
The molecular formula of Methyl 2-amino-3-nitrobenzoate is C8H8N2O4.
What is the molecular weight of Methyl 2-amino-3-nitrobenzoate?
The molecular weight of Methyl 2-amino-3-nitrobenzoate is 196.05 g/mol.
Where can I buy Methyl 2-amino-3-nitrobenzoate?
You can request a quote for Methyl 2-amino-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-amino-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-amino-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.