2-Benzylidenequinuclidin-3-one oxime
TL;DR: 2-Benzylidenequinuclidin-3-one oxime (CAS 78121-26-3) is a chemical compound with molecular formula C14H16N2O and molecular weight 228.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[(2E)-2-benzylidene-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
Also Known As: 2-benzylidenequinuclidin-3-one oxime, HRIJKLAHYFFWJZ-HFEXRDJISA-, AH-262/36795002, (1s,2E,3E,4s)-2-benzylidenequinuclidin-3-one oxime, (NE)-N-[(2E)-2-benzylidene-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
| Molecular Formula | C14H16N2O |
|---|---|
| Molecular Weight | 228.13 g/mol |
| LogP | 2.5833 |
| Topological Polar Surface Area | 35.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.12627 |
| Heavy Atoms | 17 |
| Complexity | 456.37036 |
Chemical Identifiers
| CAS Number | 78121-26-3 |
|---|---|
| SMILES | C1CN\2CCC1/C(=N\O)/C2=C\C3=CC=CC=C3 |
Product Overview
2-Benzylidenequinuclidin-3-one oxime (CAS 78121-26-3), with molecular formula C14H16N2O and molecular weight 228.13 g/mol. IUPAC: (NE)-N-[(2E)-2-benzylidene-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine.
Chemical Property Profile of 2-Benzylidenequinuclidin-3-one oxime
Property Insights of 2-Benzylidenequinuclidin-3-one oxime
The XLogP value of 2.5833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzylidenequinuclidin-3-one oxime. With a topological polar surface area (TPSA) of 35.83 Ų, 2-Benzylidenequinuclidin-3-one oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylidenequinuclidin-3-one oxime 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 2-Benzylidenequinuclidin-3-one oxime?
The CAS number of 2-Benzylidenequinuclidin-3-one oxime is 78121-26-3.
What is the molecular formula of 2-Benzylidenequinuclidin-3-one oxime?
The molecular formula of 2-Benzylidenequinuclidin-3-one oxime is C14H16N2O.
What is the molecular weight of 2-Benzylidenequinuclidin-3-one oxime?
The molecular weight of 2-Benzylidenequinuclidin-3-one oxime is 228.13 g/mol.
Where can I buy 2-Benzylidenequinuclidin-3-one oxime?
You can request a quote for 2-Benzylidenequinuclidin-3-one oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylidenequinuclidin-3-one oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylidenequinuclidin-3-one oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.