![4-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide structure](/static/products/7019/701931-48-8.webp)
4-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
TL;DR: 4-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide (CAS 701931-48-8) is a chemical compound with molecular formula C17H20FN3OS and molecular weight 333.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
Also Known As: 4-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide, 4-(3-fluorobenzyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide, 4-[(3-fluorophenyl)methyl]-N-(2-furylmethyl)piperazine-1-carbothioamide, {4-[(3-fluorophenyl)methyl]piperazinyl}[(2-furylmethyl)amino]methane-1-thione
| Molecular Formula | C17H20FN3OS |
|---|---|
| Molecular Weight | 333.13 g/mol |
| LogP | 2.611 |
| Topological Polar Surface Area | 31.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.1311 |
| Heavy Atoms | 23 |
| Complexity | 639.04785 |
Chemical Identifiers
| CAS Number | 701931-48-8 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC(=CC=C2)F)C(=S)NCC3=CC=CO3 |
Product Overview
4-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide (CAS 701931-48-8), with molecular formula C17H20FN3OS and molecular weight 333.13 g/mol. IUPAC: 4-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
Property Insights of 4-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
The XLogP value of 2.611 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 31.65 Ų, 4-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 3 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-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide?
The CAS number of 4-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide is 701931-48-8.
What is the molecular formula of 4-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide?
The molecular formula of 4-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide is C17H20FN3OS.
What is the molecular weight of 4-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide?
The molecular weight of 4-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide is 333.13 g/mol.
Where can I buy 4-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide?
You can request a quote for 4-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.