Methyl 4-amino-3-nitrobenzoate
TL;DR: Methyl 4-amino-3-nitrobenzoate (CAS 3987-92-6) 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 4-amino-3-nitrobenzoate
Also Known As: methyl 4-amino-3-nitrobenzoate, Methyl 4-amino-3-nitrobenzenecarboxylate, Methyl 4-amino-3-nitro-benzoate, DI-o-TOLYLETHYLENEDIAMINE, 4-(Methoxycarbonyl)-2-nitroaniline
| Molecular Formula | C8H8N2O4 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 0.9636 |
| Topological Polar Surface Area | 95.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.0484 |
| Heavy Atoms | 14 |
| Complexity | 388.9277 |
Chemical Identifiers
| CAS Number | 3987-92-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-] |
Product Overview
Methyl 4-amino-3-nitrobenzoate (CAS 3987-92-6), with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol. IUPAC: methyl 4-amino-3-nitrobenzoate.
Chemical Property Profile of Methyl 4-amino-3-nitrobenzoate
Property Insights of Methyl 4-amino-3-nitrobenzoate
The XLogP value of 0.9636 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-amino-3-nitrobenzoate. The TPSA of 95.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-amino-3-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 4-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 4-amino-3-nitrobenzoate?
The CAS number of Methyl 4-amino-3-nitrobenzoate is 3987-92-6.
What is the molecular formula of Methyl 4-amino-3-nitrobenzoate?
The molecular formula of Methyl 4-amino-3-nitrobenzoate is C8H8N2O4.
What is the molecular weight of Methyl 4-amino-3-nitrobenzoate?
The molecular weight of Methyl 4-amino-3-nitrobenzoate is 196.05 g/mol.
Where can I buy Methyl 4-amino-3-nitrobenzoate?
You can request a quote for Methyl 4-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 4-amino-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-amino-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.