![2-({[(3-Methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid structure](/static/products/5339/533919-98-1.webp)
2-({[(3-Methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
TL;DR: 2-({[(3-Methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 533919-98-1) is a chemical compound with molecular formula C16H13N3O5S and molecular weight 359.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid
Also Known As: 2-(3-(3-methyl-4-nitrobenzoyl)thioureido)benzoic acid, 2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid, 2-({[(3-methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid, 2-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]benzoic Acid
| Molecular Formula | C16H13N3O5S |
|---|---|
| Molecular Weight | 359.06 g/mol |
| LogP | 2.72822 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.0576 |
| Heavy Atoms | 25 |
| Complexity | 881.824 |
Chemical Identifiers
| CAS Number | 533919-98-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)O)[N+](=O)[O-] |
Product Overview
2-({[(3-Methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 533919-98-1), with molecular formula C16H13N3O5S and molecular weight 359.06 g/mol. IUPAC: 2-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-({[(3-Methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
Property Insights of 2-({[(3-Methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
The XLogP value of 2.72822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[(3-Methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid. The TPSA of 121.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[(3-Methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 2-({[(3-Methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic 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 2-({[(3-Methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The CAS number of 2-({[(3-Methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid is 533919-98-1.
What is the molecular formula of 2-({[(3-Methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular formula of 2-({[(3-Methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid is C16H13N3O5S.
What is the molecular weight of 2-({[(3-Methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular weight of 2-({[(3-Methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid is 359.06 g/mol.
Where can I buy 2-({[(3-Methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
You can request a quote for 2-({[(3-Methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[(3-Methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(3-Methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.