Methyl 4-nitroanthranilate
TL;DR: Methyl 4-nitroanthranilate (CAS 3558-19-8) 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-4-nitrobenzoate
Also Known As: Methyl 2-amino-4-nitrobenzoate, methyl 4-nitroanthranilate, Azilsartan impurity 145, 2-amino-4-nitrobenzoic acid methyl ester, 2-AMINO-4-NITROBENZ
| Molecular Formula | C8H8N2O4 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 2.2 |
| 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 | 3558-19-8 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])N |
| InChIKey | VGURYVWLCVIMTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-nitroanthranilate (CAS 3558-19-8), with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol. IUPAC: methyl 2-amino-4-nitrobenzoate.
Chemical Property Profile of Methyl 4-nitroanthranilate
Property Insights of Methyl 4-nitroanthranilate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-nitroanthranilate. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-nitroanthranilate. Following Lipinski's Rule of Five, Methyl 4-nitroanthranilate 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 4-nitroanthranilate?
The CAS number of Methyl 4-nitroanthranilate is 3558-19-8.
What is the molecular formula of Methyl 4-nitroanthranilate?
The molecular formula of Methyl 4-nitroanthranilate is C8H8N2O4.
What is the molecular weight of Methyl 4-nitroanthranilate?
The molecular weight of Methyl 4-nitroanthranilate is 196.05 g/mol.
Where can I buy Methyl 4-nitroanthranilate?
You can request a quote for Methyl 4-nitroanthranilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-nitroanthranilate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-nitroanthranilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.