![N-allyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide structure](/static/products/3513/351332-20-2.webp)
N-allyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide
TL;DR: N-allyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide (CAS 351332-20-2) is a chemical compound with molecular formula C15H18F3N3S and molecular weight 329.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Also Known As: N-allyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide, N-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide, N-(prop-2-en-1-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide, N-allyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide, N-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide
| Molecular Formula | C15H18F3N3S |
|---|---|
| Molecular Weight | 329.12 g/mol |
| LogP | 2.8879 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.11734 |
| Heavy Atoms | 22 |
| Complexity | 537.07935 |
Chemical Identifiers
| CAS Number | 351332-20-2 |
|---|---|
| SMILES | C=CCNC(=S)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F |
Product Overview
N-allyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide (CAS 351332-20-2), with molecular formula C15H18F3N3S and molecular weight 329.12 g/mol. IUPAC: N-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide.
Chemical Property Profile of N-allyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide
Property Insights of N-allyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide
The XLogP value of 2.8879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide. With a topological polar surface area (TPSA) of 18.51 Ų, N-allyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide has 1 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 N-allyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide?
The CAS number of N-allyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide is 351332-20-2.
What is the molecular formula of N-allyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide?
The molecular formula of N-allyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide is C15H18F3N3S.
What is the molecular weight of N-allyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide?
The molecular weight of N-allyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide is 329.12 g/mol.
Where can I buy N-allyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide?
You can request a quote for N-allyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.