Methyl 4-(methylamino)-3-nitrobenzoate
TL;DR: Methyl 4-(methylamino)-3-nitrobenzoate (CAS 36242-50-9) 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.
methyl 4-(methylamino)-3-nitrobenzoate
Also Known As: methyl 4-(methylamino)-3-nitrobenzoate, Dabigatran Impurity 87, Methyl 4-(methylamino)-3-nitrobenzenecarboxylate, Dabigatran etexilate impurity 1, methyl 4-methylamino-3-nitrobenzoate
| Molecular Formula | C9H10N2O4 |
|---|---|
| Molecular Weight | 210.06 g/mol |
| LogP | 1.4231 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.06406 |
| Heavy Atoms | 15 |
| Complexity | 403.09885 |
Chemical Identifiers
| CAS Number | 36242-50-9 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-] |
Product Overview
Methyl 4-(methylamino)-3-nitrobenzoate (CAS 36242-50-9), with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol. IUPAC: methyl 4-(methylamino)-3-nitrobenzoate.
Chemical Property Profile of Methyl 4-(methylamino)-3-nitrobenzoate
Property Insights of Methyl 4-(methylamino)-3-nitrobenzoate
The XLogP value of 1.4231 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(methylamino)-3-nitrobenzoate. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(methylamino)-3-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 4-(methylamino)-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 4-(methylamino)-3-nitrobenzoate?
The CAS number of Methyl 4-(methylamino)-3-nitrobenzoate is 36242-50-9.
What is the molecular formula of Methyl 4-(methylamino)-3-nitrobenzoate?
The molecular formula of Methyl 4-(methylamino)-3-nitrobenzoate is C9H10N2O4.
What is the molecular weight of Methyl 4-(methylamino)-3-nitrobenzoate?
The molecular weight of Methyl 4-(methylamino)-3-nitrobenzoate is 210.06 g/mol.
Where can I buy Methyl 4-(methylamino)-3-nitrobenzoate?
You can request a quote for Methyl 4-(methylamino)-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 4-(methylamino)-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(methylamino)-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.