![4-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}benzoic acid structure](/static/products/5339/533922-72-4.webp)
4-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}benzoic acid
TL;DR: 4-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}benzoic acid (CAS 533922-72-4) is a chemical compound with molecular formula C13H16N2O3S and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,2-dimethylpropanoylcarbamothioylamino)benzoic acid
Also Known As: 4-{[(2,2-dimethylpropanoyl)carbamothioyl]amino}benzoic acid, 4-(2,2-dimethylpropanoylcarbamothioylamino)benzoic acid, 4-(2,2-dimethylpropanoylthiocarbamoylamino)benzoic Acid, 4-[3-(2,2-Dimethyl-propionyl)-thioureido]-benzoic acid, 4-({[(2,2-dimethylpropanoyl)amino]carbonothioyl}amino)benzoic acid
| Molecular Formula | C13H16N2O3S |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 2.2439 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.08817 |
| Heavy Atoms | 19 |
| Complexity | 503.61478 |
Chemical Identifiers
| CAS Number | 533922-72-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC(=S)NC1=CC=C(C=C1)C(=O)O |
Product Overview
4-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}benzoic acid (CAS 533922-72-4), with molecular formula C13H16N2O3S and molecular weight 280.09 g/mol. IUPAC: 4-(2,2-dimethylpropanoylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 4-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}benzoic acid
Property Insights of 4-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}benzoic acid
The XLogP value of 2.2439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}benzoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}benzoic acid has 3 hydrogen bond donor(s) and 3 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-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}benzoic acid?
The CAS number of 4-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}benzoic acid is 533922-72-4.
What is the molecular formula of 4-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}benzoic acid?
The molecular formula of 4-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}benzoic acid is C13H16N2O3S.
What is the molecular weight of 4-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}benzoic acid?
The molecular weight of 4-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}benzoic acid is 280.09 g/mol.
Where can I buy 4-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}benzoic acid?
You can request a quote for 4-{[(2,2-Dimethylpropanoyl)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-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.