![3-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}-2-methylbenzoic acid structure](/static/products/5369/536980-27-5.webp)
3-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}-2-methylbenzoic acid
TL;DR: 3-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}-2-methylbenzoic acid (CAS 536980-27-5) is a chemical compound with molecular formula C14H18N2O3S and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dimethylpropanoylcarbamothioylamino)-2-methylbenzoic acid
Also Known As: 2-methyl-3-(3-pivaloylthioureido)benzoic acid, 3-(2,2-dimethylpropanoylcarbamothioylamino)-2-methylbenzoic acid, 3-(2,2-dimethylpropanoylthiocarbamoylamino)-2-methyl-benzoic Acid, 3-({[(2,2-dimethylpropanoyl)amino]carbonothioyl}amino)-2-methylbenzoic acid, 3-{[(2,2-dimethylpropanoyl)carbamothioyl]amino}-2-methylbenzoic acid
| Molecular Formula | C14H18N2O3S |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 2.55232 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.10382 |
| Heavy Atoms | 20 |
| Complexity | 562.0277 |
Chemical Identifiers
| CAS Number | 536980-27-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)C(C)(C)C)C(=O)O |
Product Overview
3-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}-2-methylbenzoic acid (CAS 536980-27-5), with molecular formula C14H18N2O3S and molecular weight 294.10 g/mol. IUPAC: 3-(2,2-dimethylpropanoylcarbamothioylamino)-2-methylbenzoic acid.
Chemical Property Profile of 3-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}-2-methylbenzoic acid
Property Insights of 3-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}-2-methylbenzoic acid
The XLogP value of 2.55232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}-2-methylbenzoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}-2-methylbenzoic acid. Following Lipinski's Rule of Five, 3-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}-2-methylbenzoic 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 3-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}-2-methylbenzoic acid?
The CAS number of 3-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}-2-methylbenzoic acid is 536980-27-5.
What is the molecular formula of 3-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}-2-methylbenzoic acid?
The molecular formula of 3-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}-2-methylbenzoic acid is C14H18N2O3S.
What is the molecular weight of 3-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}-2-methylbenzoic acid?
The molecular weight of 3-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}-2-methylbenzoic acid is 294.10 g/mol.
Where can I buy 3-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}-2-methylbenzoic acid?
You can request a quote for 3-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}-2-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(2,2-Dimethylpropanoyl)carbamothioyl]amino}-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.