3-Hydroxyspiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium) chloride benzilate
TL;DR: 3-Hydroxyspiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium) chloride benzilate (CAS 74033-46-8) is a chemical compound with molecular formula C26H32ClNO3 and molecular weight 441.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azinan-1-ium]-3-yl 2-hydroxy-2,2-diphenylacetate chloride
Also Known As: 3-Hydroxyspiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium) chloride benzilate, Spiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium), 3-hydroxy-, chloride, benzilate, spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azinan-1-ium]-3-yl 2-hydroxy-2,2-diphenylacetate chloride, Spiro[8-azoniabicyclo[3.2.1]octane-8,1'-piperidinium], 3-[(hydroxydiphenylacetyl)oxy]-, chloride, RefChem:1098966
| Molecular Formula | C26H32ClNO3 |
|---|---|
| Molecular Weight | 441.21 g/mol |
| LogP | 1.1638 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.20706 |
| Heavy Atoms | 31 |
| Complexity | 826.5398 |
Chemical Identifiers
| CAS Number | 74033-46-8 |
|---|---|
| SMILES | C1CC[N+]2(CC1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-] |
Product Overview
3-Hydroxyspiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium) chloride benzilate (CAS 74033-46-8), with molecular formula C26H32ClNO3 and molecular weight 441.21 g/mol. IUPAC: spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azinan-1-ium]-3-yl 2-hydroxy-2,2-diphenylacetate chloride.
Chemical Property Profile of 3-Hydroxyspiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium) chloride benzilate
Property Insights of 3-Hydroxyspiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium) chloride benzilate
The XLogP value of 1.1638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxyspiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium) chloride benzilate. With a topological polar surface area (TPSA) of 46.53 Ų, 3-Hydroxyspiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium) chloride benzilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxyspiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium) chloride benzilate 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 3-Hydroxyspiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium) chloride benzilate?
The CAS number of 3-Hydroxyspiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium) chloride benzilate is 74033-46-8.
What is the molecular formula of 3-Hydroxyspiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium) chloride benzilate?
The molecular formula of 3-Hydroxyspiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium) chloride benzilate is C26H32ClNO3.
What is the molecular weight of 3-Hydroxyspiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium) chloride benzilate?
The molecular weight of 3-Hydroxyspiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium) chloride benzilate is 441.21 g/mol.
Where can I buy 3-Hydroxyspiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium) chloride benzilate?
You can request a quote for 3-Hydroxyspiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium) chloride benzilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxyspiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium) chloride benzilate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxyspiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium) chloride benzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.