Methyl 2-amino-5-nitrobenzoate
TL;DR: Methyl 2-amino-5-nitrobenzoate (CAS 3816-62-4) 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-5-nitrobenzoate
Also Known As: methyl 2-amino-5-nitrobenzoate, Benzoic acid, 2-amino-5-nitro-, methyl ester, methyl 2-amino-5-nitro-benzoate, methyl-2-amino-5-nitrobenzoate, 2-Amino-5-nitrobenzoic acid methyl ester
| 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 | 3816-62-4 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N |
Product Overview
Methyl 2-amino-5-nitrobenzoate (CAS 3816-62-4), with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol. IUPAC: methyl 2-amino-5-nitrobenzoate.
Chemical Property Profile of Methyl 2-amino-5-nitrobenzoate
Property Insights of Methyl 2-amino-5-nitrobenzoate
The XLogP value of 0.9636 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-amino-5-nitrobenzoate. The TPSA of 95.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-amino-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 2-amino-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-amino-5-nitrobenzoate?
The CAS number of Methyl 2-amino-5-nitrobenzoate is 3816-62-4.
What is the molecular formula of Methyl 2-amino-5-nitrobenzoate?
The molecular formula of Methyl 2-amino-5-nitrobenzoate is C8H8N2O4.
What is the molecular weight of Methyl 2-amino-5-nitrobenzoate?
The molecular weight of Methyl 2-amino-5-nitrobenzoate is 196.05 g/mol.
Where can I buy Methyl 2-amino-5-nitrobenzoate?
You can request a quote for Methyl 2-amino-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-amino-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-amino-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.