4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate
TL;DR: 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate (CAS 767314-19-2) is a chemical compound with molecular formula C22H18FN3O2S and molecular weight 407.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-fluorobenzoate
Also Known As: 4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-FLUOROBENZOATE, 656-111-5, RefChem:511716
| Molecular Formula | C22H18FN3O2S |
|---|---|
| Molecular Weight | 407.11 g/mol |
| LogP | 4.67382 |
| Topological Polar Surface Area | 62.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.11038 |
| Heavy Atoms | 29 |
| Complexity | 1051.9329 |
Chemical Identifiers
| CAS Number | 767314-19-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3F |
Product Overview
4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate (CAS 767314-19-2), with molecular formula C22H18FN3O2S and molecular weight 407.11 g/mol. IUPAC: [4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-fluorobenzoate.
Chemical Property Profile of 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate
Property Insights of 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate
The XLogP value of 4.67382 indicates that 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate 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-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate. Following Lipinski's Rule of Five, 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate?
The CAS number of 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate is 767314-19-2.
What is the molecular formula of 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate?
The molecular formula of 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate is C22H18FN3O2S.
What is the molecular weight of 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate?
The molecular weight of 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate is 407.11 g/mol.
Where can I buy 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate?
You can request a quote for 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.