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5-[(3-methyl-4-nitro-benzoyl)amino]benzene-1,3-dicarboxylic Acid
TL;DR: 5-[(3-methyl-4-nitro-benzoyl)amino]benzene-1,3-dicarboxylic Acid (CAS 420106-16-7) is a chemical compound with molecular formula C16H12N2O7 and molecular weight 344.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-methyl-4-nitrobenzoyl)amino]benzene-1,3-dicarboxylic acid
Also Known As: 5-[(3-methyl-4-nitro-benzoyl)amino]benzene-1,3-dicarboxylic Acid, 5-(3-METHYL-4-NITROBENZAMIDO)BENZENE-1,3-DICARBOXYLIC ACID, 5-[(3-Methyl-4-nitrobenzoyl)amino]-1,3-benzenedicarboxylic acid, 5-[(3-methyl-4-nitrobenzoyl)amino]benzene-1,3-dicarboxylic acid, 5-{[(3-methyl-4-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylic acid
| Molecular Formula | C16H12N2O7 |
|---|---|
| Molecular Weight | 344.06 g/mol |
| LogP | 2.55192 |
| Topological Polar Surface Area | 146.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.06445 |
| Heavy Atoms | 25 |
| Complexity | 873.1014 |
Chemical Identifiers
| CAS Number | 420106-16-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)[N+](=O)[O-] |
Product Overview
5-[(3-methyl-4-nitro-benzoyl)amino]benzene-1,3-dicarboxylic Acid (CAS 420106-16-7), with molecular formula C16H12N2O7 and molecular weight 344.06 g/mol. IUPAC: 5-[(3-methyl-4-nitrobenzoyl)amino]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-[(3-methyl-4-nitro-benzoyl)amino]benzene-1,3-dicarboxylic Acid
Property Insights of 5-[(3-methyl-4-nitro-benzoyl)amino]benzene-1,3-dicarboxylic Acid
The XLogP value of 2.55192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(3-methyl-4-nitro-benzoyl)amino]benzene-1,3-dicarboxylic Acid. The TPSA of 146.84 Ų indicates high polarity, suggesting 5-[(3-methyl-4-nitro-benzoyl)amino]benzene-1,3-dicarboxylic Acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-[(3-methyl-4-nitro-benzoyl)amino]benzene-1,3-dicarboxylic Acid has 3 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 5-[(3-methyl-4-nitro-benzoyl)amino]benzene-1,3-dicarboxylic Acid?
The CAS number of 5-[(3-methyl-4-nitro-benzoyl)amino]benzene-1,3-dicarboxylic Acid is 420106-16-7.
What is the molecular formula of 5-[(3-methyl-4-nitro-benzoyl)amino]benzene-1,3-dicarboxylic Acid?
The molecular formula of 5-[(3-methyl-4-nitro-benzoyl)amino]benzene-1,3-dicarboxylic Acid is C16H12N2O7.
What is the molecular weight of 5-[(3-methyl-4-nitro-benzoyl)amino]benzene-1,3-dicarboxylic Acid?
The molecular weight of 5-[(3-methyl-4-nitro-benzoyl)amino]benzene-1,3-dicarboxylic Acid is 344.06 g/mol.
Where can I buy 5-[(3-methyl-4-nitro-benzoyl)amino]benzene-1,3-dicarboxylic Acid?
You can request a quote for 5-[(3-methyl-4-nitro-benzoyl)amino]benzene-1,3-dicarboxylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(3-methyl-4-nitro-benzoyl)amino]benzene-1,3-dicarboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3-methyl-4-nitro-benzoyl)amino]benzene-1,3-dicarboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.