2-Benzylidene-3-oxoquinuclidine oxime
TL;DR: 2-Benzylidene-3-oxoquinuclidine oxime (CAS 78130-07-1) 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.
N-(2-benzylidene-1-azabicyclo[2.2.2]octan-3-ylidene)hydroxylamine
Also Known As: 2-benzylidene-3-oxoquinuclidine oxime, N-(2-benzylidene-1-azabicyclo[2.2.2]octan-3-ylidene)hydroxylamine, 1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (E,E)-, 1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (E,Z)-, 1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (Z,Z)-
| Molecular Formula | C14H16N2O |
|---|---|
| Molecular Weight | 228.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.12627 |
| Heavy Atoms | 17 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 78130-07-1 |
|---|---|
| SMILES | C1CN2CCC1C(=NO)C2=CC3=CC=CC=C3 |
| InChIKey | HRIJKLAHYFFWJZ-UHFFFAOYSA-N |
Product Overview
2-Benzylidene-3-oxoquinuclidine oxime (CAS 78130-07-1), with molecular formula C14H16N2O and molecular weight 228.13 g/mol. IUPAC: N-(2-benzylidene-1-azabicyclo[2.2.2]octan-3-ylidene)hydroxylamine.
Chemical Property Profile of 2-Benzylidene-3-oxoquinuclidine oxime
Property Insights of 2-Benzylidene-3-oxoquinuclidine oxime
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzylidene-3-oxoquinuclidine oxime. With a topological polar surface area (TPSA) of 35.8 Ų, 2-Benzylidene-3-oxoquinuclidine oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylidene-3-oxoquinuclidine 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-Benzylidene-3-oxoquinuclidine oxime?
The CAS number of 2-Benzylidene-3-oxoquinuclidine oxime is 78130-07-1.
What is the molecular formula of 2-Benzylidene-3-oxoquinuclidine oxime?
The molecular formula of 2-Benzylidene-3-oxoquinuclidine oxime is C14H16N2O.
What is the molecular weight of 2-Benzylidene-3-oxoquinuclidine oxime?
The molecular weight of 2-Benzylidene-3-oxoquinuclidine oxime is 228.13 g/mol.
Where can I buy 2-Benzylidene-3-oxoquinuclidine oxime?
You can request a quote for 2-Benzylidene-3-oxoquinuclidine oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylidene-3-oxoquinuclidine oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylidene-3-oxoquinuclidine oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.