Methyl 2-(methylamino)-5-nitrobenzoate
TL;DR: Methyl 2-(methylamino)-5-nitrobenzoate (CAS 3558-14-3) 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.
methyl 2-(methylamino)-5-nitrobenzoate
Also Known As: methyl 2-(methylamino)-5-nitrobenzoate, methyl 2-(methylamino)-5-nitrobenzenecarboxylate, 2-Amino-6-chloronicotinic acid, methyl2-(methylamino)-5-nitrobenzoate, methyl 2-(methylamino)-5-nitro-benzoate
| Molecular Formula | C9H10N2O4 |
|---|---|
| Molecular Weight | 210.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 84.2 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 | 3558-14-3 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC |
| InChIKey | XSXPHEWACUOLRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-(methylamino)-5-nitrobenzoate (CAS 3558-14-3), with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol. IUPAC: methyl 2-(methylamino)-5-nitrobenzoate.
Chemical Property Profile of Methyl 2-(methylamino)-5-nitrobenzoate
Property Insights of Methyl 2-(methylamino)-5-nitrobenzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(methylamino)-5-nitrobenzoate. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(methylamino)-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 2-(methylamino)-5-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-(methylamino)-5-nitrobenzoate?
The CAS number of Methyl 2-(methylamino)-5-nitrobenzoate is 3558-14-3.
What is the molecular formula of Methyl 2-(methylamino)-5-nitrobenzoate?
The molecular formula of Methyl 2-(methylamino)-5-nitrobenzoate is C9H10N2O4.
What is the molecular weight of Methyl 2-(methylamino)-5-nitrobenzoate?
The molecular weight of Methyl 2-(methylamino)-5-nitrobenzoate is 210.06 g/mol.
Where can I buy Methyl 2-(methylamino)-5-nitrobenzoate?
You can request a quote for Methyl 2-(methylamino)-5-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-(methylamino)-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(methylamino)-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.