2-Carbamoyl-3-nitrobenzoic acid
TL;DR: 2-Carbamoyl-3-nitrobenzoic acid (CAS 77326-45-5) is a chemical compound with molecular formula C8H6N2O5 and molecular weight 210.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-carbamoyl-3-nitrobenzoic acid
Also Known As: 2-carbamoyl-3-nitrobenzoic acid, 3-Nitrophthalamic acid, 3-Nitro-phthalamic acid, 6-nitro-2-carboxybenzamide, 2-Aminocarbonyl-3-nitrobenzoic acid
| Molecular Formula | C8H6N2O5 |
|---|---|
| Molecular Weight | 210.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.02766 |
| Heavy Atoms | 15 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 77326-45-5 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)N)C(=O)O |
| InChIKey | IGLWGHRTQOYFDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Carbamoyl-3-nitrobenzoic acid (CAS 77326-45-5), with molecular formula C8H6N2O5 and molecular weight 210.03 g/mol. IUPAC: 2-carbamoyl-3-nitrobenzoic acid.
Chemical Property Profile of 2-Carbamoyl-3-nitrobenzoic acid
Property Insights of 2-Carbamoyl-3-nitrobenzoic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Carbamoyl-3-nitrobenzoic acid. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Carbamoyl-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-Carbamoyl-3-nitrobenzoic acid has 2 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 2-Carbamoyl-3-nitrobenzoic acid?
The CAS number of 2-Carbamoyl-3-nitrobenzoic acid is 77326-45-5.
What is the molecular formula of 2-Carbamoyl-3-nitrobenzoic acid?
The molecular formula of 2-Carbamoyl-3-nitrobenzoic acid is C8H6N2O5.
What is the molecular weight of 2-Carbamoyl-3-nitrobenzoic acid?
The molecular weight of 2-Carbamoyl-3-nitrobenzoic acid is 210.03 g/mol.
Where can I buy 2-Carbamoyl-3-nitrobenzoic acid?
You can request a quote for 2-Carbamoyl-3-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Carbamoyl-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Carbamoyl-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.