1-Azabicyclo(2.2.2)octan-3-one, 2-(2-furanylmethyl)-, hydrochloride
TL;DR: 1-Azabicyclo(2.2.2)octan-3-one, 2-(2-furanylmethyl)-, hydrochloride (CAS 111897-01-9) is a chemical compound with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(furan-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one chloride
Also Known As: 2-(Furyl-2-methyl)-3-oxoquinuclidine hydrochloride, 2-(2-Furanylmethyl)-1-azabicyclo(2.2.2)octan-3-one hydrochloride, 1-AZABICYCLO(2.2.2)OCTAN-3-ONE, 2-(2-FURANYLMETHYL)-, HYDROCHLORIDE, 2-(furan-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one chloride, RefChem:227612
| Molecular Formula | C12H16ClNO2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | -2.93 |
| Topological Polar Surface Area | 34.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.08696 |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 111897-01-9 |
|---|---|
| SMILES | C1C[NH+]2CCC1C(=O)C2CC3=CC=CO3.[Cl-] |
| InChIKey | OWBXQHIIFVBXOC-UHFFFAOYSA-N |
Product Overview
1-Azabicyclo(2.2.2)octan-3-one, 2-(2-furanylmethyl)-, hydrochloride (CAS 111897-01-9), with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol. IUPAC: 2-(furan-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one chloride.
Chemical Property Profile of 1-Azabicyclo(2.2.2)octan-3-one, 2-(2-furanylmethyl)-, hydrochloride
Property Insights of 1-Azabicyclo(2.2.2)octan-3-one, 2-(2-furanylmethyl)-, hydrochloride
The XLogP value of -2.93 indicates that 1-Azabicyclo(2.2.2)octan-3-one, 2-(2-furanylmethyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.7 Ų, 1-Azabicyclo(2.2.2)octan-3-one, 2-(2-furanylmethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azabicyclo(2.2.2)octan-3-one, 2-(2-furanylmethyl)-, 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)octan-3-one, 2-(2-furanylmethyl)-, hydrochloride?
The CAS number of 1-Azabicyclo(2.2.2)octan-3-one, 2-(2-furanylmethyl)-, hydrochloride is 111897-01-9.
What is the molecular formula of 1-Azabicyclo(2.2.2)octan-3-one, 2-(2-furanylmethyl)-, hydrochloride?
The molecular formula of 1-Azabicyclo(2.2.2)octan-3-one, 2-(2-furanylmethyl)-, hydrochloride is C12H16ClNO2.
What is the molecular weight of 1-Azabicyclo(2.2.2)octan-3-one, 2-(2-furanylmethyl)-, hydrochloride?
The molecular weight of 1-Azabicyclo(2.2.2)octan-3-one, 2-(2-furanylmethyl)-, hydrochloride is 241.09 g/mol.
Where can I buy 1-Azabicyclo(2.2.2)octan-3-one, 2-(2-furanylmethyl)-, hydrochloride?
You can request a quote for 1-Azabicyclo(2.2.2)octan-3-one, 2-(2-furanylmethyl)-, 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)octan-3-one, 2-(2-furanylmethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Azabicyclo(2.2.2)octan-3-one, 2-(2-furanylmethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.