4-((4-Methylbenzyl)oxy)benzaldehyde N-(4-fluorophenyl)thiosemicarbazone
TL;DR: 4-((4-Methylbenzyl)oxy)benzaldehyde N-(4-fluorophenyl)thiosemicarbazone (CAS 767320-39-8) is a chemical compound with molecular formula C22H20FN3OS and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-3-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]thiourea
Also Known As: 4-((4-METHYLBENZYL)OXY)BENZALDEHYDE N-(4-FLUOROPHENYL)THIOSEMICARBAZONE, 1-(4-fluorophenyl)-3-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]thiourea, 643-383-5, RefChem:509542
| Molecular Formula | C22H20FN3OS |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 5.03362 |
| Topological Polar Surface Area | 45.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.1311 |
| Heavy Atoms | 28 |
| Complexity | 939.0257 |
Chemical Identifiers
| CAS Number | 767320-39-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=S)NC3=CC=C(C=C3)F |
Product Overview
4-((4-Methylbenzyl)oxy)benzaldehyde N-(4-fluorophenyl)thiosemicarbazone (CAS 767320-39-8), with molecular formula C22H20FN3OS and molecular weight 393.13 g/mol. IUPAC: 1-(4-fluorophenyl)-3-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]thiourea.
Chemical Property Profile of 4-((4-Methylbenzyl)oxy)benzaldehyde N-(4-fluorophenyl)thiosemicarbazone
Property Insights of 4-((4-Methylbenzyl)oxy)benzaldehyde N-(4-fluorophenyl)thiosemicarbazone
The XLogP value of 5.03362 indicates that 4-((4-Methylbenzyl)oxy)benzaldehyde N-(4-fluorophenyl)thiosemicarbazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.65 Ų, 4-((4-Methylbenzyl)oxy)benzaldehyde N-(4-fluorophenyl)thiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4-Methylbenzyl)oxy)benzaldehyde N-(4-fluorophenyl)thiosemicarbazone has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((4-Methylbenzyl)oxy)benzaldehyde N-(4-fluorophenyl)thiosemicarbazone?
The CAS number of 4-((4-Methylbenzyl)oxy)benzaldehyde N-(4-fluorophenyl)thiosemicarbazone is 767320-39-8.
What is the molecular formula of 4-((4-Methylbenzyl)oxy)benzaldehyde N-(4-fluorophenyl)thiosemicarbazone?
The molecular formula of 4-((4-Methylbenzyl)oxy)benzaldehyde N-(4-fluorophenyl)thiosemicarbazone is C22H20FN3OS.
What is the molecular weight of 4-((4-Methylbenzyl)oxy)benzaldehyde N-(4-fluorophenyl)thiosemicarbazone?
The molecular weight of 4-((4-Methylbenzyl)oxy)benzaldehyde N-(4-fluorophenyl)thiosemicarbazone is 393.13 g/mol.
Where can I buy 4-((4-Methylbenzyl)oxy)benzaldehyde N-(4-fluorophenyl)thiosemicarbazone?
You can request a quote for 4-((4-Methylbenzyl)oxy)benzaldehyde N-(4-fluorophenyl)thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-Methylbenzyl)oxy)benzaldehyde N-(4-fluorophenyl)thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Methylbenzyl)oxy)benzaldehyde N-(4-fluorophenyl)thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.