![4-({[(2-Nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid structure](/static/products/388/388092-34-0.png)
4-({[(2-Nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
TL;DR: 4-({[(2-Nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 388092-34-0) is a chemical compound with molecular formula C15H11N3O5S and molecular weight 345.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-nitrobenzoyl)carbamothioylamino]benzoic acid
Also Known As: 4-[3-(2-Nitrobenzoyl)thioureido]benzoic acid, J1.662.479I, 4-({[(2-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid, 4-[(2-nitrobenzoyl)carbamothioylamino]benzoic acid, 4-[(2-nitrobenzoyl)thiocarbamoylamino]benzoic Acid
| Molecular Formula | C15H11N3O5S |
|---|---|
| Molecular Weight | 345.04 g/mol |
| LogP | 2.4198 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.04193 |
| Heavy Atoms | 24 |
| Complexity | 820.11414 |
Chemical Identifiers
| CAS Number | 388092-34-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
4-({[(2-Nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 388092-34-0), with molecular formula C15H11N3O5S and molecular weight 345.04 g/mol. IUPAC: 4-[(2-nitrobenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-({[(2-Nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
Property Insights of 4-({[(2-Nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
The XLogP value of 2.4198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({[(2-Nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid. The TPSA of 121.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[(2-Nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 4-({[(2-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 4-({[(2-Nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The CAS number of 4-({[(2-Nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid is 388092-34-0.
What is the molecular formula of 4-({[(2-Nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular formula of 4-({[(2-Nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid is C15H11N3O5S.
What is the molecular weight of 4-({[(2-Nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular weight of 4-({[(2-Nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid is 345.04 g/mol.
Where can I buy 4-({[(2-Nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
You can request a quote for 4-({[(2-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 4-({[(2-Nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({[(2-Nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.