1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride
TL;DR: 1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride (CAS 66859-42-5) is a chemical compound with molecular formula C27H30ClNO3 and molecular weight 451.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride
Also Known As: 1-benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride, 1,3-Dioxolane, 4-(1-benzyl-2-piperidyl)-2,2-diphenyl-, N-oxide, hydrochloride, alpha-, alpha-4-(1-Benzyl-2-piperidyl)-2,2-diphenyl-1,3-dioxolane N-oxide hydrochloride, 1,3-DIOXOLANE, 4-(1-BENZYL-2-PIPERIDYL)-2,2-DIPHENYL-, N-OXIDE, HYDROCHLORIDE, a, 1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-iumchloride
| Molecular Formula | C27H30ClNO3 |
|---|---|
| Molecular Weight | 451.19 g/mol |
| LogP | 2.27 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.1914 |
| Heavy Atoms | 32 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 66859-42-5 |
|---|---|
| SMILES | C1CC[N+](C(C1)C2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)(CC5=CC=CC=C5)O.[Cl-] |
| InChIKey | YGGAFIXGHSUQBZ-UHFFFAOYSA-M |
Product Overview
1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride (CAS 66859-42-5), with molecular formula C27H30ClNO3 and molecular weight 451.19 g/mol. IUPAC: 1-benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride.
Chemical Property Profile of 1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride
Property Insights of 1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride
The XLogP value of 2.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride. With a topological polar surface area (TPSA) of 38.7 Ų, 1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride 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 1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride?
The CAS number of 1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride is 66859-42-5.
What is the molecular formula of 1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride?
The molecular formula of 1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride is C27H30ClNO3.
What is the molecular weight of 1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride?
The molecular weight of 1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride is 451.19 g/mol.
Where can I buy 1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride?
You can request a quote for 1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.