9-Azabicyclo(3.3.1)nonane-9-ethanol, benzilate (ester), hydrochloride
TL;DR: 9-Azabicyclo(3.3.1)nonane-9-ethanol, benzilate (ester), hydrochloride (CAS 101377-89-3) is a chemical compound with molecular formula C24H30ClNO3 and molecular weight 415.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl 2-hydroxy-2,2-diphenylacetate chloride
Also Known As: Benzilate ester of N-(beta-hydroxyethyl)norgranatane hydrochloride, 9-AZABICYCLO(3.3.1)NONANE-9-ETHANOL, BENZILATE (ester), HYDROCHLORIDE, 2-(9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl 2-hydroxy-2,2-diphenylacetate chloride, 9-(2-{[hydroxy(diphenyl)acetyl]oxy}ethyl)-9-azoniabicyclo[3.3.1]nonane chloride, RefChem:312982
| Molecular Formula | C24H30ClNO3 |
|---|---|
| Molecular Weight | 415.19 g/mol |
| LogP | -0.54 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.1914 |
| Heavy Atoms | 29 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 101377-89-3 |
|---|---|
| SMILES | C1CC2CCCC(C1)[NH+]2CCOC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-] |
| InChIKey | ISBRXSCJVBOSHD-UHFFFAOYSA-N |
Product Overview
9-Azabicyclo(3.3.1)nonane-9-ethanol, benzilate (ester), hydrochloride (CAS 101377-89-3), with molecular formula C24H30ClNO3 and molecular weight 415.19 g/mol. IUPAC: 2-(9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl 2-hydroxy-2,2-diphenylacetate chloride.
Chemical Property Profile of 9-Azabicyclo(3.3.1)nonane-9-ethanol, benzilate (ester), hydrochloride
Property Insights of 9-Azabicyclo(3.3.1)nonane-9-ethanol, benzilate (ester), hydrochloride
The XLogP value of -0.54 indicates that 9-Azabicyclo(3.3.1)nonane-9-ethanol, benzilate (ester), hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.0 Ų, 9-Azabicyclo(3.3.1)nonane-9-ethanol, benzilate (ester), hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Azabicyclo(3.3.1)nonane-9-ethanol, benzilate (ester), hydrochloride has 2 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 9-Azabicyclo(3.3.1)nonane-9-ethanol, benzilate (ester), hydrochloride?
The CAS number of 9-Azabicyclo(3.3.1)nonane-9-ethanol, benzilate (ester), hydrochloride is 101377-89-3.
What is the molecular formula of 9-Azabicyclo(3.3.1)nonane-9-ethanol, benzilate (ester), hydrochloride?
The molecular formula of 9-Azabicyclo(3.3.1)nonane-9-ethanol, benzilate (ester), hydrochloride is C24H30ClNO3.
What is the molecular weight of 9-Azabicyclo(3.3.1)nonane-9-ethanol, benzilate (ester), hydrochloride?
The molecular weight of 9-Azabicyclo(3.3.1)nonane-9-ethanol, benzilate (ester), hydrochloride is 415.19 g/mol.
Where can I buy 9-Azabicyclo(3.3.1)nonane-9-ethanol, benzilate (ester), hydrochloride?
You can request a quote for 9-Azabicyclo(3.3.1)nonane-9-ethanol, benzilate (ester), hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Azabicyclo(3.3.1)nonane-9-ethanol, benzilate (ester), hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 9-Azabicyclo(3.3.1)nonane-9-ethanol, benzilate (ester), hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.