![Benzoic acid, 5-bromo-2-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]- structure](/static/products/5359/535936-89-1.webp)
Benzoic acid, 5-bromo-2-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]-
TL;DR: Benzoic acid, 5-bromo-2-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]- (CAS 535936-89-1) 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.
5-bromo-2-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: Benzoic acid, 5-bromo-2-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]-, 5-Bromo-2-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid, 5-bromo-2-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]benzoic acid, 5-bromo-2-[[2-(4-chlorophenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 5-Bromo-2-[[[[(4-chlorophenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C16H12BrClN2O4S |
|---|---|
| Molecular Weight | 441.94 g/mol |
| LogP | 3.6927 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.93896 |
| Heavy Atoms | 25 |
| Complexity | 814.28204 |
Chemical Identifiers
| CAS Number | 535936-89-1 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC(=O)NC(=S)NC2=C(C=C(C=C2)Br)C(=O)O)Cl |
Product Overview
Benzoic acid, 5-bromo-2-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]- (CAS 535936-89-1), with molecular formula C16H12BrClN2O4S and molecular weight 441.94 g/mol. IUPAC: 5-bromo-2-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of Benzoic acid, 5-bromo-2-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]-
Property Insights of Benzoic acid, 5-bromo-2-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]-
The XLogP value of 3.6927 indicates that Benzoic acid, 5-bromo-2-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]- 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 Benzoic acid, 5-bromo-2-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]-. Following Lipinski's Rule of Five, Benzoic acid, 5-bromo-2-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]- 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 Benzoic acid, 5-bromo-2-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]-?
The CAS number of Benzoic acid, 5-bromo-2-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]- is 535936-89-1.
What is the molecular formula of Benzoic acid, 5-bromo-2-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]-?
The molecular formula of Benzoic acid, 5-bromo-2-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]- is C16H12BrClN2O4S.
What is the molecular weight of Benzoic acid, 5-bromo-2-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]-?
The molecular weight of Benzoic acid, 5-bromo-2-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]- is 441.94 g/mol.
Where can I buy Benzoic acid, 5-bromo-2-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]-?
You can request a quote for Benzoic acid, 5-bromo-2-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 5-bromo-2-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 5-bromo-2-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.