3',5'-Difluorobenzene acetyl piperidine thioamide
TL;DR: 3',5'-Difluorobenzene acetyl piperidine thioamide (CAS 289677-12-9) is a chemical compound with molecular formula C13H15F2NS and molecular weight 255.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-difluorophenyl)-1-piperidin-1-ylethanethione
Also Known As: 3',5'-Difluorobenzene acetyl piperidine thioamide, 2-(3,5-difluorophenyl)-1-(piperidin-1-yl)ethanethione, 2-(3,5-difluorophenyl)-1-piperidin-1-ylethanethione, 3,5-difluorobenzeneacetylpiperidinethioamide, 3',5'-Difluorobenzene acetyl piperidone thioamide
| Molecular Formula | C13H15F2NS |
|---|---|
| Molecular Weight | 255.09 g/mol |
| LogP | 3.3206 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.08932 |
| Heavy Atoms | 17 |
| Complexity | 393.63052 |
Chemical Identifiers
| CAS Number | 289677-12-9 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)CC2=CC(=CC(=C2)F)F |
Product Overview
3',5'-Difluorobenzene acetyl piperidine thioamide (CAS 289677-12-9), with molecular formula C13H15F2NS and molecular weight 255.09 g/mol. IUPAC: 2-(3,5-difluorophenyl)-1-piperidin-1-ylethanethione.
Chemical Property Profile of 3',5'-Difluorobenzene acetyl piperidine thioamide
Property Insights of 3',5'-Difluorobenzene acetyl piperidine thioamide
The XLogP value of 3.3206 indicates that 3',5'-Difluorobenzene acetyl piperidine thioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 3',5'-Difluorobenzene acetyl piperidine thioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3',5'-Difluorobenzene acetyl piperidine thioamide has 0 hydrogen bond donor(s) and 1 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 3',5'-Difluorobenzene acetyl piperidine thioamide?
The CAS number of 3',5'-Difluorobenzene acetyl piperidine thioamide is 289677-12-9.
What is the molecular formula of 3',5'-Difluorobenzene acetyl piperidine thioamide?
The molecular formula of 3',5'-Difluorobenzene acetyl piperidine thioamide is C13H15F2NS.
What is the molecular weight of 3',5'-Difluorobenzene acetyl piperidine thioamide?
The molecular weight of 3',5'-Difluorobenzene acetyl piperidine thioamide is 255.09 g/mol.
Where can I buy 3',5'-Difluorobenzene acetyl piperidine thioamide?
You can request a quote for 3',5'-Difluorobenzene acetyl piperidine thioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',5'-Difluorobenzene acetyl piperidine thioamide?
Yes, KEHONG BIO provides custom synthesis services for 3',5'-Difluorobenzene acetyl piperidine thioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.