(4-Benzylpiperazin-1-yl)-(4-fluorophenyl)methanethione
TL;DR: (4-Benzylpiperazin-1-yl)-(4-fluorophenyl)methanethione (CAS 701952-35-4) is a chemical compound with molecular formula C18H19FN2S and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-(4-fluorophenyl)methanethione
Also Known As: (4-benzylpiperazin-1-yl)-(4-fluorophenyl)methanethione, (4-benzylpiperazin-1-yl)(4-fluorophenyl)methanethione, (4-benzylpiperazine-1-yl)(4-fluorophenyl)methane thione, (4-BENZYLPIPERAZINO)(4-FLUOROPHENYL)METHANETHIONE, 1-BENZYL-4-(4-FLUOROBENZENECARBOTHIOYL)PIPERAZINE
| Molecular Formula | C18H19FN2S |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 3.319 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.1253 |
| Heavy Atoms | 22 |
| Complexity | 619.2952 |
Chemical Identifiers
| CAS Number | 701952-35-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC=C(C=C3)F |
Product Overview
(4-Benzylpiperazin-1-yl)-(4-fluorophenyl)methanethione (CAS 701952-35-4), with molecular formula C18H19FN2S and molecular weight 314.13 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-(4-fluorophenyl)methanethione.
Chemical Property Profile of (4-Benzylpiperazin-1-yl)-(4-fluorophenyl)methanethione
Property Insights of (4-Benzylpiperazin-1-yl)-(4-fluorophenyl)methanethione
The XLogP value of 3.319 indicates that (4-Benzylpiperazin-1-yl)-(4-fluorophenyl)methanethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.48 Ų, (4-Benzylpiperazin-1-yl)-(4-fluorophenyl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Benzylpiperazin-1-yl)-(4-fluorophenyl)methanethione has 0 hydrogen bond donor(s) and 2 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-Benzylpiperazin-1-yl)-(4-fluorophenyl)methanethione?
The CAS number of (4-Benzylpiperazin-1-yl)-(4-fluorophenyl)methanethione is 701952-35-4.
What is the molecular formula of (4-Benzylpiperazin-1-yl)-(4-fluorophenyl)methanethione?
The molecular formula of (4-Benzylpiperazin-1-yl)-(4-fluorophenyl)methanethione is C18H19FN2S.
What is the molecular weight of (4-Benzylpiperazin-1-yl)-(4-fluorophenyl)methanethione?
The molecular weight of (4-Benzylpiperazin-1-yl)-(4-fluorophenyl)methanethione is 314.13 g/mol.
Where can I buy (4-Benzylpiperazin-1-yl)-(4-fluorophenyl)methanethione?
You can request a quote for (4-Benzylpiperazin-1-yl)-(4-fluorophenyl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Benzylpiperazin-1-yl)-(4-fluorophenyl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (4-Benzylpiperazin-1-yl)-(4-fluorophenyl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.