4-Bromo-2-(2-((3-chloroanilino)carbothioyl)carbohydrazonoyl)phenyl benzoate
TL;DR: 4-Bromo-2-(2-((3-chloroanilino)carbothioyl)carbohydrazonoyl)phenyl benzoate (CAS 764656-90-8) is a chemical compound with molecular formula C21H15BrClN3O2S and molecular weight 486.98 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] benzoate
Also Known As: 4-BROMO-2-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE, [4-bromo-2-[[(3-chlorophenyl)thiocarbamoylhydrazinylidene]methyl]phenyl] Benzoate, 643-550-2, RefChem:519236
| Molecular Formula | C21H15BrClN3O2S |
|---|---|
| Molecular Weight | 486.98 g/mol |
| LogP | 5.6422 |
| Topological Polar Surface Area | 62.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.97568 |
| Heavy Atoms | 29 |
| Complexity | 1060.8016 |
Chemical Identifiers
| CAS Number | 764656-90-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=S)NC3=CC(=CC=C3)Cl |
Product Overview
4-Bromo-2-(2-((3-chloroanilino)carbothioyl)carbohydrazonoyl)phenyl benzoate (CAS 764656-90-8), with molecular formula C21H15BrClN3O2S and molecular weight 486.98 g/mol. IUPAC: [4-bromo-2-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] benzoate.
Chemical Property Profile of 4-Bromo-2-(2-((3-chloroanilino)carbothioyl)carbohydrazonoyl)phenyl benzoate
Property Insights of 4-Bromo-2-(2-((3-chloroanilino)carbothioyl)carbohydrazonoyl)phenyl benzoate
The XLogP value of 5.6422 indicates that 4-Bromo-2-(2-((3-chloroanilino)carbothioyl)carbohydrazonoyl)phenyl benzoate 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-(2-((3-chloroanilino)carbothioyl)carbohydrazonoyl)phenyl benzoate. Following Lipinski's Rule of Five, 4-Bromo-2-(2-((3-chloroanilino)carbothioyl)carbohydrazonoyl)phenyl benzoate 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-(2-((3-chloroanilino)carbothioyl)carbohydrazonoyl)phenyl benzoate?
The CAS number of 4-Bromo-2-(2-((3-chloroanilino)carbothioyl)carbohydrazonoyl)phenyl benzoate is 764656-90-8.
What is the molecular formula of 4-Bromo-2-(2-((3-chloroanilino)carbothioyl)carbohydrazonoyl)phenyl benzoate?
The molecular formula of 4-Bromo-2-(2-((3-chloroanilino)carbothioyl)carbohydrazonoyl)phenyl benzoate is C21H15BrClN3O2S.
What is the molecular weight of 4-Bromo-2-(2-((3-chloroanilino)carbothioyl)carbohydrazonoyl)phenyl benzoate?
The molecular weight of 4-Bromo-2-(2-((3-chloroanilino)carbothioyl)carbohydrazonoyl)phenyl benzoate is 486.98 g/mol.
Where can I buy 4-Bromo-2-(2-((3-chloroanilino)carbothioyl)carbohydrazonoyl)phenyl benzoate?
You can request a quote for 4-Bromo-2-(2-((3-chloroanilino)carbothioyl)carbohydrazonoyl)phenyl benzoate 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-(2-((3-chloroanilino)carbothioyl)carbohydrazonoyl)phenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-(2-((3-chloroanilino)carbothioyl)carbohydrazonoyl)phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.