![4-bromo-2-{(E)-[(3-toluidinocarbothioyl)hydrazono]methyl}phenyl 2-chlorobenzoate structure](/static/products/769/769151-77-1.png)
4-bromo-2-{(E)-[(3-toluidinocarbothioyl)hydrazono]methyl}phenyl 2-chlorobenzoate
TL;DR: 4-bromo-2-{(E)-[(3-toluidinocarbothioyl)hydrazono]methyl}phenyl 2-chlorobenzoate (CAS 769151-77-1) is a chemical compound with molecular formula C22H17BrClN3O2S and molecular weight 500.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-bromo-2-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Also Known As: [4-bromo-2-[[(3-methylphenyl)thiocarbamoylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate|4-bromo-2-{(E)-[(3-toluidinocarbothioyl)hydrazono]methyl}phenyl 2-chlorobenzoate
| Molecular Formula | C22H17BrClN3O2S |
|---|---|
| Molecular Weight | 500.99 g/mol |
| LogP | 5.95062 |
| Topological Polar Surface Area | 62.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 500.99133 |
| Heavy Atoms | 30 |
| Complexity | 1121.0417 |
Chemical Identifiers
| CAS Number | 769151-77-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3Cl |
Product Overview
4-bromo-2-{(E)-[(3-toluidinocarbothioyl)hydrazono]methyl}phenyl 2-chlorobenzoate (CAS 769151-77-1), with molecular formula C22H17BrClN3O2S and molecular weight 500.99 g/mol. IUPAC: [4-bromo-2-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate.
Chemical Property Profile of 4-bromo-2-{(E)-[(3-toluidinocarbothioyl)hydrazono]methyl}phenyl 2-chlorobenzoate
Property Insights of 4-bromo-2-{(E)-[(3-toluidinocarbothioyl)hydrazono]methyl}phenyl 2-chlorobenzoate
The XLogP value of 5.95062 indicates that 4-bromo-2-{(E)-[(3-toluidinocarbothioyl)hydrazono]methyl}phenyl 2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-2-{(E)-[(3-toluidinocarbothioyl)hydrazono]methyl}phenyl 2-chlorobenzoate. Following Lipinski's Rule of Five, 4-bromo-2-{(E)-[(3-toluidinocarbothioyl)hydrazono]methyl}phenyl 2-chlorobenzoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-bromo-2-{(E)-[(3-toluidinocarbothioyl)hydrazono]methyl}phenyl 2-chlorobenzoate?
The CAS number of 4-bromo-2-{(E)-[(3-toluidinocarbothioyl)hydrazono]methyl}phenyl 2-chlorobenzoate is 769151-77-1.
What is the molecular formula of 4-bromo-2-{(E)-[(3-toluidinocarbothioyl)hydrazono]methyl}phenyl 2-chlorobenzoate?
The molecular formula of 4-bromo-2-{(E)-[(3-toluidinocarbothioyl)hydrazono]methyl}phenyl 2-chlorobenzoate is C22H17BrClN3O2S.
What is the molecular weight of 4-bromo-2-{(E)-[(3-toluidinocarbothioyl)hydrazono]methyl}phenyl 2-chlorobenzoate?
The molecular weight of 4-bromo-2-{(E)-[(3-toluidinocarbothioyl)hydrazono]methyl}phenyl 2-chlorobenzoate is 500.99 g/mol.
Where can I buy 4-bromo-2-{(E)-[(3-toluidinocarbothioyl)hydrazono]methyl}phenyl 2-chlorobenzoate?
You can request a quote for 4-bromo-2-{(E)-[(3-toluidinocarbothioyl)hydrazono]methyl}phenyl 2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-2-{(E)-[(3-toluidinocarbothioyl)hydrazono]methyl}phenyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-2-{(E)-[(3-toluidinocarbothioyl)hydrazono]methyl}phenyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.