![4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide structure](/static/products/6902/690249-49-1.webp)
4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide
TL;DR: 4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide (CAS 690249-49-1) is a chemical compound with molecular formula C19H21F2N3O2S2 and molecular weight 425.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide
Also Known As: F1743-0026, 4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide, 4-BENZYL-N-(3-DIFLUOROMETHANESULFONYLPHENYL)PIPERAZINE-1-CARBOTHIOAMIDE, difluoro{[3-({[4-benzylpiperazinyl]thioxomethyl}amino)phenyl]sulfonyl}methane, 4-benzyl-N-(3-((difluoromethyl)sulfonyl)phenyl)piperazine-1-carbothioamide
| Molecular Formula | C19H21F2N3O2S2 |
|---|---|
| Molecular Weight | 425.10 g/mol |
| LogP | 3.1975 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.10434 |
| Heavy Atoms | 28 |
| Complexity | 915.7858 |
Chemical Identifiers
| CAS Number | 690249-49-1 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)S(=O)(=O)C(F)F |
Product Overview
4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide (CAS 690249-49-1), with molecular formula C19H21F2N3O2S2 and molecular weight 425.10 g/mol. IUPAC: 4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide.
Chemical Property Profile of 4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide
Property Insights of 4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide
The XLogP value of 3.1975 indicates that 4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, 4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide has 1 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-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide?
The CAS number of 4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide is 690249-49-1.
What is the molecular formula of 4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide?
The molecular formula of 4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide is C19H21F2N3O2S2.
What is the molecular weight of 4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide?
The molecular weight of 4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide is 425.10 g/mol.
Where can I buy 4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide?
You can request a quote for 4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]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-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.