4-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate
TL;DR: 4-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate (CAS 769142-82-7) is a chemical compound with molecular formula C21H14Cl2FN3O2S and molecular weight 461.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Also Known As: 4-(2-((4-FLUOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE, [4-[[(4-fluorophenyl)thiocarbamoylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate, 650-395-4, RefChem:511283
| Molecular Formula | C21H14Cl2FN3O2S |
|---|---|
| Molecular Weight | 461.02 g/mol |
| LogP | 5.6722 |
| Topological Polar Surface Area | 62.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.01678 |
| Heavy Atoms | 30 |
| Complexity | 1090.4105 |
Chemical Identifiers
| CAS Number | 769142-82-7 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=N/NC(=S)NC2=CC=C(C=C2)F)OC(=O)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
4-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate (CAS 769142-82-7), with molecular formula C21H14Cl2FN3O2S and molecular weight 461.02 g/mol. IUPAC: [4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate.
Chemical Property Profile of 4-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate
Property Insights of 4-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate
The XLogP value of 5.6722 indicates that 4-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate 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-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate. Following Lipinski's Rule of Five, 4-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate 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-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate?
The CAS number of 4-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate is 769142-82-7.
What is the molecular formula of 4-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate?
The molecular formula of 4-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate is C21H14Cl2FN3O2S.
What is the molecular weight of 4-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate?
The molecular weight of 4-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate is 461.02 g/mol.
Where can I buy 4-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate?
You can request a quote for 4-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.