RefChem:220776
TL;DR: RefChem:220776 (CAS 3666-66-8) is a chemical compound with molecular formula C20H30ClNO2 and molecular weight 351.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(8-methyl-8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride
Also Known As: beta-8-Methyl-8-phenyl-2-(2-piperidyl)-1,4-dioxaspiro(4.5)decane hydrochloride, 1,4-Dioxaspiro(4.5)decane, 8-methyl-8-phenyl-2-(2-piperidyl)-, hydrochloride, beta-, 2-(8-Methyl-8-phenyl-1,4-dioxaspiro[4.5]decan-2-yl)piperidin-1-iumchloride, 1,4-DIOXASPIRO(4.5)DECANE, 8-METHYL-8-PHENYL-2-(2-PIPERIDYL)-, HYDROCHLORIDE, be, 2-(8-methyl-8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride
| Molecular Formula | C20H30ClNO2 |
|---|---|
| Molecular Weight | 351.20 g/mol |
| LogP | -0.25 |
| Topological Polar Surface Area | 35.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.1965 |
| Heavy Atoms | 24 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 3666-66-8 |
|---|---|
| SMILES | CC1(CCC2(CC1)OCC(O2)C3CCCC[NH2+]3)C4=CC=CC=C4.[Cl-] |
| InChIKey | PMIFBJOMQOXWSL-UHFFFAOYSA-N |
Product Overview
RefChem:220776 (CAS 3666-66-8), with molecular formula C20H30ClNO2 and molecular weight 351.20 g/mol. IUPAC: 2-(8-methyl-8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride.
Chemical Property Profile of RefChem:220776
Property Insights of RefChem:220776
The XLogP value of -0.25 indicates that RefChem:220776 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.1 Ų, RefChem:220776 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:220776 has 1 hydrogen bond donor(s) and 3 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 RefChem:220776?
The CAS number of RefChem:220776 is 3666-66-8.
What is the molecular formula of RefChem:220776?
The molecular formula of RefChem:220776 is C20H30ClNO2.
What is the molecular weight of RefChem:220776?
The molecular weight of RefChem:220776 is 351.20 g/mol.
Where can I buy RefChem:220776?
You can request a quote for RefChem:220776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:220776?
Yes, KEHONG BIO provides custom synthesis services for RefChem:220776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.