4-Fluorophenyl 1-(2-isothiocyanatoethyl)piperidin-4-yl ketone
TL;DR: 4-Fluorophenyl 1-(2-isothiocyanatoethyl)piperidin-4-yl ketone (CAS 84946-22-5) is a chemical compound with molecular formula C15H17FN2OS and molecular weight 292.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl)-[1-(2-isothiocyanatoethyl)piperidin-4-yl]methanone
Also Known As: EINECS 284-626-1, 4-fluorophenyl1- piperidin-4-ylketone, 4-Fluorophenyl 1-(2-isothiocyanatoethyl)piperidin-4-yl ketone, (4-fluorophenyl)-[1-(2-isothiocyanatoethyl)piperidin-4-yl]methanone, (4-Fluorophenyl)(1-(2-isothiocyanatoethyl)piperidin-4-yl)methanone
| Molecular Formula | C15H17FN2OS |
|---|---|
| Molecular Weight | 292.10 g/mol |
| LogP | 2.8232 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.10455 |
| Heavy Atoms | 20 |
| Complexity | 503.10974 |
Chemical Identifiers
| CAS Number | 84946-22-5 |
|---|---|
| SMILES | C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN=C=S |
Product Overview
4-Fluorophenyl 1-(2-isothiocyanatoethyl)piperidin-4-yl ketone (CAS 84946-22-5), with molecular formula C15H17FN2OS and molecular weight 292.10 g/mol. IUPAC: (4-fluorophenyl)-[1-(2-isothiocyanatoethyl)piperidin-4-yl]methanone.
Chemical Property Profile of 4-Fluorophenyl 1-(2-isothiocyanatoethyl)piperidin-4-yl ketone
Property Insights of 4-Fluorophenyl 1-(2-isothiocyanatoethyl)piperidin-4-yl ketone
The XLogP value of 2.8232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorophenyl 1-(2-isothiocyanatoethyl)piperidin-4-yl ketone. With a topological polar surface area (TPSA) of 32.67 Ų, 4-Fluorophenyl 1-(2-isothiocyanatoethyl)piperidin-4-yl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorophenyl 1-(2-isothiocyanatoethyl)piperidin-4-yl ketone has 0 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-Fluorophenyl 1-(2-isothiocyanatoethyl)piperidin-4-yl ketone?
The CAS number of 4-Fluorophenyl 1-(2-isothiocyanatoethyl)piperidin-4-yl ketone is 84946-22-5.
What is the molecular formula of 4-Fluorophenyl 1-(2-isothiocyanatoethyl)piperidin-4-yl ketone?
The molecular formula of 4-Fluorophenyl 1-(2-isothiocyanatoethyl)piperidin-4-yl ketone is C15H17FN2OS.
What is the molecular weight of 4-Fluorophenyl 1-(2-isothiocyanatoethyl)piperidin-4-yl ketone?
The molecular weight of 4-Fluorophenyl 1-(2-isothiocyanatoethyl)piperidin-4-yl ketone is 292.10 g/mol.
Where can I buy 4-Fluorophenyl 1-(2-isothiocyanatoethyl)piperidin-4-yl ketone?
You can request a quote for 4-Fluorophenyl 1-(2-isothiocyanatoethyl)piperidin-4-yl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorophenyl 1-(2-isothiocyanatoethyl)piperidin-4-yl ketone?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorophenyl 1-(2-isothiocyanatoethyl)piperidin-4-yl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.