1-Azabicyclo(2.2.2)octane, 2-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride
TL;DR: 1-Azabicyclo(2.2.2)octane, 2-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride (CAS 111897-07-5) is a chemical compound with molecular formula C15H20ClNO2 and molecular weight 281.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethyl)-1-azoniabicyclo[2.2.2]octane chloride
Also Known As: 2-(3,4-Methylenedioxybenzyl)quinuclidine hydrochloride, 2-(1,3-Benzodioxol-5-ylmethyl)-1-azabicyclo(2.2.2)octane hydrochloride, 1-AZABICYCLO(2.2.2)OCTANE, 2-(1,3-BENZODIOXOL-5-YLMETHYL)-, HYDROCHLORIDE, 2-(1,3-benzodioxol-5-ylmethyl)-1-azoniabicyclo[2.2.2]octane chloride, 2-(1,3-benzodioxol-5-ylmethyl)-1-azoniabicyclo[2.2.2]octanechloride
| Molecular Formula | C15H20ClNO2 |
|---|---|
| Molecular Weight | 281.12 g/mol |
| LogP | -1.97 |
| Topological Polar Surface Area | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.11826 |
| Heavy Atoms | 19 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 111897-07-5 |
|---|---|
| SMILES | C1C[NH+]2CCC1CC2CC3=CC4=C(C=C3)OCO4.[Cl-] |
| InChIKey | LNBXDCSOFJIZJF-UHFFFAOYSA-N |
Product Overview
1-Azabicyclo(2.2.2)octane, 2-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride (CAS 111897-07-5), with molecular formula C15H20ClNO2 and molecular weight 281.12 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethyl)-1-azoniabicyclo[2.2.2]octane chloride.
Chemical Property Profile of 1-Azabicyclo(2.2.2)octane, 2-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride
Property Insights of 1-Azabicyclo(2.2.2)octane, 2-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride
The XLogP value of -1.97 indicates that 1-Azabicyclo(2.2.2)octane, 2-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 22.9 Ų, 1-Azabicyclo(2.2.2)octane, 2-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azabicyclo(2.2.2)octane, 2-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride 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 1-Azabicyclo(2.2.2)octane, 2-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride?
The CAS number of 1-Azabicyclo(2.2.2)octane, 2-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride is 111897-07-5.
What is the molecular formula of 1-Azabicyclo(2.2.2)octane, 2-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride?
The molecular formula of 1-Azabicyclo(2.2.2)octane, 2-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride is C15H20ClNO2.
What is the molecular weight of 1-Azabicyclo(2.2.2)octane, 2-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride?
The molecular weight of 1-Azabicyclo(2.2.2)octane, 2-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride is 281.12 g/mol.
Where can I buy 1-Azabicyclo(2.2.2)octane, 2-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride?
You can request a quote for 1-Azabicyclo(2.2.2)octane, 2-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Azabicyclo(2.2.2)octane, 2-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Azabicyclo(2.2.2)octane, 2-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.