4-BR-2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate
TL;DR: 4-BR-2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate (CAS 769152-27-4) is a chemical compound with molecular formula C21H14BrCl2N3O2S and molecular weight 520.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-bromo-2-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Also Known As: 4-BR-2-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE, [4-bromo-2-[[(3-chlorophenyl)thiocarbamoylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate, 649-252-9, RefChem:518670
| Molecular Formula | C21H14BrCl2N3O2S |
|---|---|
| Molecular Weight | 520.94 g/mol |
| LogP | 6.2956 |
| Topological Polar Surface Area | 62.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 520.9367 |
| Heavy Atoms | 30 |
| Complexity | 1124.9105 |
Chemical Identifiers
| CAS Number | 769152-27-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=S)NC3=CC(=CC=C3)Cl)Cl |
Product Overview
4-BR-2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate (CAS 769152-27-4), with molecular formula C21H14BrCl2N3O2S and molecular weight 520.94 g/mol. IUPAC: [4-bromo-2-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate.
Chemical Property Profile of 4-BR-2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate
Property Insights of 4-BR-2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate
The XLogP value of 6.2956 indicates that 4-BR-2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)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-BR-2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate. Following Lipinski's Rule of Five, 4-BR-2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)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-BR-2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate?
The CAS number of 4-BR-2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate is 769152-27-4.
What is the molecular formula of 4-BR-2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate?
The molecular formula of 4-BR-2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate is C21H14BrCl2N3O2S.
What is the molecular weight of 4-BR-2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate?
The molecular weight of 4-BR-2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate is 520.94 g/mol.
Where can I buy 4-BR-2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate?
You can request a quote for 4-BR-2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)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-BR-2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-BR-2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.