4-Carbamoyl-3-nitrobenzoic acid
TL;DR: 4-Carbamoyl-3-nitrobenzoic acid (CAS 87594-59-0) 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.
4-carbamoyl-3-nitrobenzoic acid
Also Known As: 4-carbamoyl-3-nitrobenzoic acid, 3-Nitroterephthalamic acid, 4-Carboxy-2-nitrobenzamide, 4-Carbamoyl-3-nitrobenzoicacid, 2-Nitro-4-carboxybenzamide
| Molecular Formula | C8H6N2O5 |
|---|---|
| Molecular Weight | 210.03 g/mol |
| LogP | 0.3919 |
| Topological Polar Surface Area | 123.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.02766 |
| Heavy Atoms | 15 |
| Complexity | 454.3453 |
Chemical Identifiers
| CAS Number | 87594-59-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)N |
Product Overview
4-Carbamoyl-3-nitrobenzoic acid (CAS 87594-59-0), with molecular formula C8H6N2O5 and molecular weight 210.03 g/mol. IUPAC: 4-carbamoyl-3-nitrobenzoic acid.
Chemical Property Profile of 4-Carbamoyl-3-nitrobenzoic acid
Property Insights of 4-Carbamoyl-3-nitrobenzoic acid
The XLogP value of 0.3919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Carbamoyl-3-nitrobenzoic acid. The TPSA of 123.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carbamoyl-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-Carbamoyl-3-nitrobenzoic acid has 2 hydrogen bond donor(s) and 4 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 4-Carbamoyl-3-nitrobenzoic acid?
The CAS number of 4-Carbamoyl-3-nitrobenzoic acid is 87594-59-0.
What is the molecular formula of 4-Carbamoyl-3-nitrobenzoic acid?
The molecular formula of 4-Carbamoyl-3-nitrobenzoic acid is C8H6N2O5.
What is the molecular weight of 4-Carbamoyl-3-nitrobenzoic acid?
The molecular weight of 4-Carbamoyl-3-nitrobenzoic acid is 210.03 g/mol.
Where can I buy 4-Carbamoyl-3-nitrobenzoic acid?
You can request a quote for 4-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 4-Carbamoyl-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Carbamoyl-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.