Methyl 4-(aminocarbonyl)-2-nitrobenzoate
TL;DR: Methyl 4-(aminocarbonyl)-2-nitrobenzoate (CAS 20132-75-6) is a chemical compound with molecular formula C9H8N2O5 and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-carbamoyl-2-nitrobenzoate
Also Known As: methyl 4-carbamoyl-2-nitrobenzoate, Methyl 4-(aminocarbonyl)-2-nitrobenzoate, methyl4- -2-nitrobenzoate, 4-Carbamoyl-2-nitrobenzoic acid methyl ester, Benzoic acid, 4-(aminocarbonyl)-2-nitro-, methyl ester
| Molecular Formula | C9H8N2O5 |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.04332 |
| Heavy Atoms | 16 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 20132-75-6 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-] |
| InChIKey | OYZKIZQJLPADLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-(aminocarbonyl)-2-nitrobenzoate (CAS 20132-75-6), with molecular formula C9H8N2O5 and molecular weight 224.04 g/mol. IUPAC: methyl 4-carbamoyl-2-nitrobenzoate.
Chemical Property Profile of Methyl 4-(aminocarbonyl)-2-nitrobenzoate
Property Insights of Methyl 4-(aminocarbonyl)-2-nitrobenzoate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(aminocarbonyl)-2-nitrobenzoate. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(aminocarbonyl)-2-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 4-(aminocarbonyl)-2-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-(aminocarbonyl)-2-nitrobenzoate?
The CAS number of Methyl 4-(aminocarbonyl)-2-nitrobenzoate is 20132-75-6.
What is the molecular formula of Methyl 4-(aminocarbonyl)-2-nitrobenzoate?
The molecular formula of Methyl 4-(aminocarbonyl)-2-nitrobenzoate is C9H8N2O5.
What is the molecular weight of Methyl 4-(aminocarbonyl)-2-nitrobenzoate?
The molecular weight of Methyl 4-(aminocarbonyl)-2-nitrobenzoate is 224.04 g/mol.
Where can I buy Methyl 4-(aminocarbonyl)-2-nitrobenzoate?
You can request a quote for Methyl 4-(aminocarbonyl)-2-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-(aminocarbonyl)-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(aminocarbonyl)-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.