Ethanone, 1-(4-(benzoyloxy)-1-methyl-4-piperidinyl)-, hydrochloride
TL;DR: Ethanone, 1-(4-(benzoyloxy)-1-methyl-4-piperidinyl)-, hydrochloride (CAS 98694-59-8) is a chemical compound with molecular formula C15H20ClNO3 and molecular weight 297.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyl-1-methylpiperidin-1-ium-4-yl) benzoate chloride
Also Known As: 1-Methyl-4-acetyl-4-benzoyloxypiperidine hydrochloride, (4-acetyl-1-methylpiperidin-1-ium-4-yl) benzoate chloride, 1-(4-(Benzoyloxy)-1-methyl-4-piperidinyl)ethanone hydrochloride, ETHANONE, 1-(4-(BENZOYLOXY)-1-METHYL-4-PIPERIDINYL)-, HYDROCHLORIDE, (4-Acetyl-1-methylpiperidin-1-ium-4-yl)benzoate chloride
| Molecular Formula | C15H20ClNO3 |
|---|---|
| Molecular Weight | 297.11 g/mol |
| LogP | -2.52 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.11316 |
| Heavy Atoms | 20 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 98694-59-8 |
|---|---|
| SMILES | CC(=O)C1(CC[NH+](CC1)C)OC(=O)C2=CC=CC=C2.[Cl-] |
| InChIKey | CDIAWKHQHCHXPX-UHFFFAOYSA-N |
Product Overview
Ethanone, 1-(4-(benzoyloxy)-1-methyl-4-piperidinyl)-, hydrochloride (CAS 98694-59-8), with molecular formula C15H20ClNO3 and molecular weight 297.11 g/mol. IUPAC: (4-acetyl-1-methylpiperidin-1-ium-4-yl) benzoate chloride.
Chemical Property Profile of Ethanone, 1-(4-(benzoyloxy)-1-methyl-4-piperidinyl)-, hydrochloride
Property Insights of Ethanone, 1-(4-(benzoyloxy)-1-methyl-4-piperidinyl)-, hydrochloride
The XLogP value of -2.52 indicates that Ethanone, 1-(4-(benzoyloxy)-1-methyl-4-piperidinyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.8 Ų, Ethanone, 1-(4-(benzoyloxy)-1-methyl-4-piperidinyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(4-(benzoyloxy)-1-methyl-4-piperidinyl)-, hydrochloride has 1 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 Ethanone, 1-(4-(benzoyloxy)-1-methyl-4-piperidinyl)-, hydrochloride?
The CAS number of Ethanone, 1-(4-(benzoyloxy)-1-methyl-4-piperidinyl)-, hydrochloride is 98694-59-8.
What is the molecular formula of Ethanone, 1-(4-(benzoyloxy)-1-methyl-4-piperidinyl)-, hydrochloride?
The molecular formula of Ethanone, 1-(4-(benzoyloxy)-1-methyl-4-piperidinyl)-, hydrochloride is C15H20ClNO3.
What is the molecular weight of Ethanone, 1-(4-(benzoyloxy)-1-methyl-4-piperidinyl)-, hydrochloride?
The molecular weight of Ethanone, 1-(4-(benzoyloxy)-1-methyl-4-piperidinyl)-, hydrochloride is 297.11 g/mol.
Where can I buy Ethanone, 1-(4-(benzoyloxy)-1-methyl-4-piperidinyl)-, hydrochloride?
You can request a quote for Ethanone, 1-(4-(benzoyloxy)-1-methyl-4-piperidinyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(4-(benzoyloxy)-1-methyl-4-piperidinyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4-(benzoyloxy)-1-methyl-4-piperidinyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.