![5-Bromo-2-[[[(3,4-dimethylbenzoyl)amino]thioxomethyl]amino]-benzoic acid structure](/static/products/5301/530133-68-7.webp)
5-Bromo-2-[[[(3,4-dimethylbenzoyl)amino]thioxomethyl]amino]-benzoic acid
TL;DR: 5-Bromo-2-[[[(3,4-dimethylbenzoyl)amino]thioxomethyl]amino]-benzoic acid (CAS 530133-68-7) is a chemical compound with molecular formula C17H15BrN2O3S and molecular weight 406.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid
Also Known As: 5-BROMO-2-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 5-bromo-2-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid, 5-bromo-2-[(3,4-dimethylbenzoyl)thiocarbamoylamino]benzoic Acid, 5-Bromo-2-[[[(3,4-dimethylbenzoyl)amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C17H15BrN2O3S |
|---|---|
| Molecular Weight | 406.00 g/mol |
| LogP | 3.89094 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.9987 |
| Heavy Atoms | 24 |
| Complexity | 836.5805 |
Chemical Identifiers
| CAS Number | 530133-68-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)C(=O)O)C |
Product Overview
5-Bromo-2-[[[(3,4-dimethylbenzoyl)amino]thioxomethyl]amino]-benzoic acid (CAS 530133-68-7), with molecular formula C17H15BrN2O3S and molecular weight 406.00 g/mol. IUPAC: 5-bromo-2-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 5-Bromo-2-[[[(3,4-dimethylbenzoyl)amino]thioxomethyl]amino]-benzoic acid
Property Insights of 5-Bromo-2-[[[(3,4-dimethylbenzoyl)amino]thioxomethyl]amino]-benzoic acid
The XLogP value of 3.89094 indicates that 5-Bromo-2-[[[(3,4-dimethylbenzoyl)amino]thioxomethyl]amino]-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-2-[[[(3,4-dimethylbenzoyl)amino]thioxomethyl]amino]-benzoic acid. Following Lipinski's Rule of Five, 5-Bromo-2-[[[(3,4-dimethylbenzoyl)amino]thioxomethyl]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 5-Bromo-2-[[[(3,4-dimethylbenzoyl)amino]thioxomethyl]amino]-benzoic acid?
The CAS number of 5-Bromo-2-[[[(3,4-dimethylbenzoyl)amino]thioxomethyl]amino]-benzoic acid is 530133-68-7.
What is the molecular formula of 5-Bromo-2-[[[(3,4-dimethylbenzoyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular formula of 5-Bromo-2-[[[(3,4-dimethylbenzoyl)amino]thioxomethyl]amino]-benzoic acid is C17H15BrN2O3S.
What is the molecular weight of 5-Bromo-2-[[[(3,4-dimethylbenzoyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular weight of 5-Bromo-2-[[[(3,4-dimethylbenzoyl)amino]thioxomethyl]amino]-benzoic acid is 406.00 g/mol.
Where can I buy 5-Bromo-2-[[[(3,4-dimethylbenzoyl)amino]thioxomethyl]amino]-benzoic acid?
You can request a quote for 5-Bromo-2-[[[(3,4-dimethylbenzoyl)amino]thioxomethyl]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 5-Bromo-2-[[[(3,4-dimethylbenzoyl)amino]thioxomethyl]amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-[[[(3,4-dimethylbenzoyl)amino]thioxomethyl]amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.