![2-[(4-Methylpyridin-2-yl)carbamoyl]-3-nitrobenzoic acid structure](/static/products/3139/313960-88-2.webp)
2-[(4-Methylpyridin-2-yl)carbamoyl]-3-nitrobenzoic acid
TL;DR: 2-[(4-Methylpyridin-2-yl)carbamoyl]-3-nitrobenzoic acid (CAS 313960-88-2) is a chemical compound with molecular formula C14H11N3O5 and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-2-pyridinyl)carbamoyl]-3-nitrobenzoic acid
Also Known As: 2-[(4-methylpyridin-2-yl)carbamoyl]-3-nitrobenzoic acid, 2-[(4-methylpyridin-2-yl)carbamoyl]-3-nitro-benzoic Acid, 2-[[(4-Methyl-2-pyridinyl)amino]carbonyl]-3-nitrobenzoic acid
| Molecular Formula | C14H11N3O5 |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | 2.24872 |
| Topological Polar Surface Area | 122.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.0699 |
| Heavy Atoms | 22 |
| Complexity | 740.57367 |
Chemical Identifiers
| CAS Number | 313960-88-2 |
|---|---|
| SMILES | CC1=CC(=NC=C1)NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O |
Product Overview
2-[(4-Methylpyridin-2-yl)carbamoyl]-3-nitrobenzoic acid (CAS 313960-88-2), with molecular formula C14H11N3O5 and molecular weight 301.07 g/mol. IUPAC: 2-[(4-methyl-2-pyridinyl)carbamoyl]-3-nitrobenzoic acid.
Chemical Property Profile of 2-[(4-Methylpyridin-2-yl)carbamoyl]-3-nitrobenzoic acid
Property Insights of 2-[(4-Methylpyridin-2-yl)carbamoyl]-3-nitrobenzoic acid
The XLogP value of 2.24872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Methylpyridin-2-yl)carbamoyl]-3-nitrobenzoic acid. The TPSA of 122.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Methylpyridin-2-yl)carbamoyl]-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-[(4-Methylpyridin-2-yl)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-[(4-Methylpyridin-2-yl)carbamoyl]-3-nitrobenzoic acid?
The CAS number of 2-[(4-Methylpyridin-2-yl)carbamoyl]-3-nitrobenzoic acid is 313960-88-2.
What is the molecular formula of 2-[(4-Methylpyridin-2-yl)carbamoyl]-3-nitrobenzoic acid?
The molecular formula of 2-[(4-Methylpyridin-2-yl)carbamoyl]-3-nitrobenzoic acid is C14H11N3O5.
What is the molecular weight of 2-[(4-Methylpyridin-2-yl)carbamoyl]-3-nitrobenzoic acid?
The molecular weight of 2-[(4-Methylpyridin-2-yl)carbamoyl]-3-nitrobenzoic acid is 301.07 g/mol.
Where can I buy 2-[(4-Methylpyridin-2-yl)carbamoyl]-3-nitrobenzoic acid?
You can request a quote for 2-[(4-Methylpyridin-2-yl)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-[(4-Methylpyridin-2-yl)carbamoyl]-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methylpyridin-2-yl)carbamoyl]-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.