1-butyrylpiperidin-4-one
TL;DR: 1-butyrylpiperidin-4-one (CAS 71821-29-9) is a chemical compound with molecular formula C18H23Cl2N3O4S and molecular weight 447.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(cyclohexylsulfanylmethoxy)-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
Also Known As: 1-butyrylpiperidin-4-one, 1-(2-((Cyclohexylthio)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole mononitrate, 1-(beta-(Cyclohexylthiomethoxy-2,4-dichlorphenaethyl))-imidazol-nitrat [German], 1-(beta-(Cyclohexylthiomethoxy-2,4-dichlorphenaethyl))-imidazol-nitrat, 1H-Imidazole, 1-(2-((cyclohexylthio)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate
| Molecular Formula | C18H23Cl2N3O4S |
|---|---|
| Molecular Weight | 447.08 g/mol |
| LogP | 5.6235 |
| Topological Polar Surface Area | 90.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.07864 |
| Heavy Atoms | 28 |
| Complexity | 723.62573 |
Chemical Identifiers
| CAS Number | 71821-29-9 |
|---|---|
| SMILES | C1CCC(CC1)SCOC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl.[N+](=O)(O)[O-] |
Product Overview
1-butyrylpiperidin-4-one (CAS 71821-29-9), with molecular formula C18H23Cl2N3O4S and molecular weight 447.08 g/mol. IUPAC: 1-[2-(cyclohexylsulfanylmethoxy)-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid.
Chemical Property Profile of 1-butyrylpiperidin-4-one
Property Insights of 1-butyrylpiperidin-4-one
The XLogP value of 5.6235 indicates that 1-butyrylpiperidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-butyrylpiperidin-4-one. Following Lipinski's Rule of Five, 1-butyrylpiperidin-4-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-butyrylpiperidin-4-one?
The CAS number of 1-butyrylpiperidin-4-one is 71821-29-9.
What is the molecular formula of 1-butyrylpiperidin-4-one?
The molecular formula of 1-butyrylpiperidin-4-one is C18H23Cl2N3O4S.
What is the molecular weight of 1-butyrylpiperidin-4-one?
The molecular weight of 1-butyrylpiperidin-4-one is 447.08 g/mol.
Where can I buy 1-butyrylpiperidin-4-one?
You can request a quote for 1-butyrylpiperidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-butyrylpiperidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-butyrylpiperidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.