![2-Chloro-5-({[(3-methylbutanoyl)amino]carbonothioyl}amino)benzoic acid structure](/static/products/5301/530154-08-6.webp)
2-Chloro-5-({[(3-methylbutanoyl)amino]carbonothioyl}amino)benzoic acid
TL;DR: 2-Chloro-5-({[(3-methylbutanoyl)amino]carbonothioyl}amino)benzoic acid (CAS 530154-08-6) is a chemical compound with molecular formula C13H15ClN2O3S and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-(3-methylbutanoylcarbamothioylamino)benzoic acid
Also Known As: 2-chloro-5-(3-methylbutanoylcarbamothioylamino)benzoic acid, 2-chloro-5-(3-methylbutanoylthiocarbamoylamino)benzoic Acid, 2-chloro-5-[3-(3-methyl-butyryl)-thioureido]-benzoic acid, 2-CHLORO-5-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 2-chloro-5-({[(3-methylbutanoyl)amino]carbonothioyl}amino)benzoic acid
| Molecular Formula | C13H15ClN2O3S |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 2.8973 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.0492 |
| Heavy Atoms | 20 |
| Complexity | 546.41785 |
Chemical Identifiers
| CAS Number | 530154-08-6 |
|---|---|
| SMILES | CC(C)CC(=O)NC(=S)NC1=CC(=C(C=C1)Cl)C(=O)O |
Product Overview
2-Chloro-5-({[(3-methylbutanoyl)amino]carbonothioyl}amino)benzoic acid (CAS 530154-08-6), with molecular formula C13H15ClN2O3S and molecular weight 314.05 g/mol. IUPAC: 2-chloro-5-(3-methylbutanoylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 2-Chloro-5-({[(3-methylbutanoyl)amino]carbonothioyl}amino)benzoic acid
Property Insights of 2-Chloro-5-({[(3-methylbutanoyl)amino]carbonothioyl}amino)benzoic acid
The XLogP value of 2.8973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-({[(3-methylbutanoyl)amino]carbonothioyl}amino)benzoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5-({[(3-methylbutanoyl)amino]carbonothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 2-Chloro-5-({[(3-methylbutanoyl)amino]carbonothioyl}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 2-Chloro-5-({[(3-methylbutanoyl)amino]carbonothioyl}amino)benzoic acid?
The CAS number of 2-Chloro-5-({[(3-methylbutanoyl)amino]carbonothioyl}amino)benzoic acid is 530154-08-6.
What is the molecular formula of 2-Chloro-5-({[(3-methylbutanoyl)amino]carbonothioyl}amino)benzoic acid?
The molecular formula of 2-Chloro-5-({[(3-methylbutanoyl)amino]carbonothioyl}amino)benzoic acid is C13H15ClN2O3S.
What is the molecular weight of 2-Chloro-5-({[(3-methylbutanoyl)amino]carbonothioyl}amino)benzoic acid?
The molecular weight of 2-Chloro-5-({[(3-methylbutanoyl)amino]carbonothioyl}amino)benzoic acid is 314.05 g/mol.
Where can I buy 2-Chloro-5-({[(3-methylbutanoyl)amino]carbonothioyl}amino)benzoic acid?
You can request a quote for 2-Chloro-5-({[(3-methylbutanoyl)amino]carbonothioyl}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-Chloro-5-({[(3-methylbutanoyl)amino]carbonothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-({[(3-methylbutanoyl)amino]carbonothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.