Methyl 2-(methylamino)-6-nitrobenzoate
TL;DR: Methyl 2-(methylamino)-6-nitrobenzoate (CAS 90558-05-7) 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)-6-nitrobenzoate
Also Known As: methyl 2-(methylamino)-6-nitrobenzoate, methyl2-(methylamino)-6-nitrobenzoate, benzoic acid, 2-(methylamino)-6-nitro-, methyl ester, InChI=1/C9H10N2O4/c1-10-6-4-3-5-7(11(13)14)8(6)9(12)15-2/h3-5,10H,1-2H
| 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 | 90558-05-7 |
|---|---|
| SMILES | CNC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC |
| InChIKey | KEOLGEPDCZTXFG-UHFFFAOYSA-N |
Product Overview
Methyl 2-(methylamino)-6-nitrobenzoate (CAS 90558-05-7), with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol. IUPAC: methyl 2-(methylamino)-6-nitrobenzoate.
Chemical Property Profile of Methyl 2-(methylamino)-6-nitrobenzoate
Property Insights of Methyl 2-(methylamino)-6-nitrobenzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(methylamino)-6-nitrobenzoate. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(methylamino)-6-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 2-(methylamino)-6-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)-6-nitrobenzoate?
The CAS number of Methyl 2-(methylamino)-6-nitrobenzoate is 90558-05-7.
What is the molecular formula of Methyl 2-(methylamino)-6-nitrobenzoate?
The molecular formula of Methyl 2-(methylamino)-6-nitrobenzoate is C9H10N2O4.
What is the molecular weight of Methyl 2-(methylamino)-6-nitrobenzoate?
The molecular weight of Methyl 2-(methylamino)-6-nitrobenzoate is 210.06 g/mol.
Where can I buy Methyl 2-(methylamino)-6-nitrobenzoate?
You can request a quote for Methyl 2-(methylamino)-6-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)-6-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(methylamino)-6-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.