![2-[[[(3-Bromo-4-methoxybenzoyl)amino]thioxomethyl]amino]-5-chloro-benzoic acid structure](/static/products/5301/530139-49-2.webp)
2-[[[(3-Bromo-4-methoxybenzoyl)amino]thioxomethyl]amino]-5-chloro-benzoic acid
TL;DR: 2-[[[(3-Bromo-4-methoxybenzoyl)amino]thioxomethyl]amino]-5-chloro-benzoic acid (CAS 530139-49-2) is a chemical compound with molecular formula C16H12BrClN2O4S and molecular weight 441.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-5-chlorobenzoic acid
Also Known As: 2-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]-5-chloro-benzoic Acid, 2-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-5-chlorobenzoic acid, 2-[[[(3-Bromo-4-methoxybenzoyl)amino]thioxomethyl ]amino]-5-chloro-benzoic acid
| Molecular Formula | C16H12BrClN2O4S |
|---|---|
| Molecular Weight | 441.94 g/mol |
| LogP | 3.9361 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.93896 |
| Heavy Atoms | 25 |
| Complexity | 860.0235 |
Chemical Identifiers
| CAS Number | 530139-49-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)O)Br |
Product Overview
2-[[[(3-Bromo-4-methoxybenzoyl)amino]thioxomethyl]amino]-5-chloro-benzoic acid (CAS 530139-49-2), with molecular formula C16H12BrClN2O4S and molecular weight 441.94 g/mol. IUPAC: 2-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-5-chlorobenzoic acid.
Chemical Property Profile of 2-[[[(3-Bromo-4-methoxybenzoyl)amino]thioxomethyl]amino]-5-chloro-benzoic acid
Property Insights of 2-[[[(3-Bromo-4-methoxybenzoyl)amino]thioxomethyl]amino]-5-chloro-benzoic acid
The XLogP value of 3.9361 indicates that 2-[[[(3-Bromo-4-methoxybenzoyl)amino]thioxomethyl]amino]-5-chloro-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[[(3-Bromo-4-methoxybenzoyl)amino]thioxomethyl]amino]-5-chloro-benzoic acid. Following Lipinski's Rule of Five, 2-[[[(3-Bromo-4-methoxybenzoyl)amino]thioxomethyl]amino]-5-chloro-benzoic acid has 3 hydrogen bond donor(s) and 4 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-[[[(3-Bromo-4-methoxybenzoyl)amino]thioxomethyl]amino]-5-chloro-benzoic acid?
The CAS number of 2-[[[(3-Bromo-4-methoxybenzoyl)amino]thioxomethyl]amino]-5-chloro-benzoic acid is 530139-49-2.
What is the molecular formula of 2-[[[(3-Bromo-4-methoxybenzoyl)amino]thioxomethyl]amino]-5-chloro-benzoic acid?
The molecular formula of 2-[[[(3-Bromo-4-methoxybenzoyl)amino]thioxomethyl]amino]-5-chloro-benzoic acid is C16H12BrClN2O4S.
What is the molecular weight of 2-[[[(3-Bromo-4-methoxybenzoyl)amino]thioxomethyl]amino]-5-chloro-benzoic acid?
The molecular weight of 2-[[[(3-Bromo-4-methoxybenzoyl)amino]thioxomethyl]amino]-5-chloro-benzoic acid is 441.94 g/mol.
Where can I buy 2-[[[(3-Bromo-4-methoxybenzoyl)amino]thioxomethyl]amino]-5-chloro-benzoic acid?
You can request a quote for 2-[[[(3-Bromo-4-methoxybenzoyl)amino]thioxomethyl]amino]-5-chloro-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-[[[(3-Bromo-4-methoxybenzoyl)amino]thioxomethyl]amino]-5-chloro-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[[(3-Bromo-4-methoxybenzoyl)amino]thioxomethyl]amino]-5-chloro-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.