3-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
TL;DR: 3-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate (CAS 769150-91-6) is a chemical compound with molecular formula C21H15ClFN3O2S and molecular weight 427.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Also Known As: 3-(2-((4-FLUOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE, [3-[[(4-fluorophenyl)thiocarbamoylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate, 644-013-5, RefChem:490269
| Molecular Formula | C21H15ClFN3O2S |
|---|---|
| Molecular Weight | 427.06 g/mol |
| LogP | 5.0188 |
| Topological Polar Surface Area | 62.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.05576 |
| Heavy Atoms | 29 |
| Complexity | 1040.5516 |
Chemical Identifiers
| CAS Number | 769150-91-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)Cl)/C=N/NC(=S)NC3=CC=C(C=C3)F |
Product Overview
3-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate (CAS 769150-91-6), with molecular formula C21H15ClFN3O2S and molecular weight 427.06 g/mol. IUPAC: [3-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate.
Chemical Property Profile of 3-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
Property Insights of 3-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
The XLogP value of 5.0188 indicates that 3-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-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 3-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate. Following Lipinski's Rule of Five, 3-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-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 3-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate?
The CAS number of 3-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate is 769150-91-6.
What is the molecular formula of 3-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate?
The molecular formula of 3-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate is C21H15ClFN3O2S.
What is the molecular weight of 3-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate?
The molecular weight of 3-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate is 427.06 g/mol.
Where can I buy 3-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate?
You can request a quote for 3-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-((4-Fluoroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.