![N-[(4-cinnamyl-1-piperazinyl)carbothioyl]-2,6-difluorobenzamide structure](/static/products/4970/497060-89-6.webp)
N-[(4-cinnamyl-1-piperazinyl)carbothioyl]-2,6-difluorobenzamide
TL;DR: N-[(4-cinnamyl-1-piperazinyl)carbothioyl]-2,6-difluorobenzamide (CAS 497060-89-6) is a chemical compound with molecular formula C21H21F2N3OS and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-difluoro-N-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioyl]benzamide
Also Known As: N-[(4-cinnamyl-1-piperazinyl)carbothioyl]-2,6-difluorobenzamide, AO-990/15068201, 2,6-difluoro-N-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioyl]benzamide, N-(4-Cinnamylpiperazine-1-carbonothioyl)-2,6-difluorobenzamide, N-(4-cinnamylpiperazine-1-carbothioyl)-2,6-difluoro-benzamide
| Molecular Formula | C21H21F2N3OS |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | 3.3105 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.13733 |
| Heavy Atoms | 28 |
| Complexity | 844.95935 |
Chemical Identifiers
| CAS Number | 497060-89-6 |
|---|---|
| SMILES | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=S)NC(=O)C3=C(C=CC=C3F)F |
Product Overview
N-[(4-cinnamyl-1-piperazinyl)carbothioyl]-2,6-difluorobenzamide (CAS 497060-89-6), with molecular formula C21H21F2N3OS and molecular weight 401.14 g/mol. IUPAC: 2,6-difluoro-N-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioyl]benzamide.
Chemical Property Profile of N-[(4-cinnamyl-1-piperazinyl)carbothioyl]-2,6-difluorobenzamide
Property Insights of N-[(4-cinnamyl-1-piperazinyl)carbothioyl]-2,6-difluorobenzamide
The XLogP value of 3.3105 indicates that N-[(4-cinnamyl-1-piperazinyl)carbothioyl]-2,6-difluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.58 Ų, N-[(4-cinnamyl-1-piperazinyl)carbothioyl]-2,6-difluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-cinnamyl-1-piperazinyl)carbothioyl]-2,6-difluorobenzamide 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 N-[(4-cinnamyl-1-piperazinyl)carbothioyl]-2,6-difluorobenzamide?
The CAS number of N-[(4-cinnamyl-1-piperazinyl)carbothioyl]-2,6-difluorobenzamide is 497060-89-6.
What is the molecular formula of N-[(4-cinnamyl-1-piperazinyl)carbothioyl]-2,6-difluorobenzamide?
The molecular formula of N-[(4-cinnamyl-1-piperazinyl)carbothioyl]-2,6-difluorobenzamide is C21H21F2N3OS.
What is the molecular weight of N-[(4-cinnamyl-1-piperazinyl)carbothioyl]-2,6-difluorobenzamide?
The molecular weight of N-[(4-cinnamyl-1-piperazinyl)carbothioyl]-2,6-difluorobenzamide is 401.14 g/mol.
Where can I buy N-[(4-cinnamyl-1-piperazinyl)carbothioyl]-2,6-difluorobenzamide?
You can request a quote for N-[(4-cinnamyl-1-piperazinyl)carbothioyl]-2,6-difluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-cinnamyl-1-piperazinyl)carbothioyl]-2,6-difluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-cinnamyl-1-piperazinyl)carbothioyl]-2,6-difluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.