![1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (E,Z)- structure](/static/products/7812/78121-28-5.webp)
1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (E,Z)-
TL;DR: 1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (E,Z)- (CAS 78121-28-5) 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-[(2Z)-2-benzylidene-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
Also Known As: HRIJKLAHYFFWJZ-FZQUVCEYSA-, 1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (E,Z)-, (NE)-N-[(2Z)-2-benzylidene-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine, InChI=1/C14H16N2O/c17-15-14-12-6-8-16(9-7-12)13(14)10-11-4-2-1-3-5-11/h1-5,10,12,17H,6-9H2/b13-10-,15-14+
| 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 | 78121-28-5 |
|---|---|
| SMILES | C1CN\2CCC1/C(=N\O)/C2=C/C3=CC=CC=C3 |
Product Overview
1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (E,Z)- (CAS 78121-28-5), with molecular formula C14H16N2O and molecular weight 228.13 g/mol. IUPAC: (NE)-N-[(2Z)-2-benzylidene-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine.
Chemical Property Profile of 1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (E,Z)-
Property Insights of 1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (E,Z)-
The XLogP value of 2.5833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (E,Z)-. With a topological polar surface area (TPSA) of 35.83 Ų, 1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (E,Z)- 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-(phenylmethylene)-, oxime, (E,Z)- 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-(phenylmethylene)-, oxime, (E,Z)-?
The CAS number of 1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (E,Z)- is 78121-28-5.
What is the molecular formula of 1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (E,Z)-?
The molecular formula of 1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (E,Z)- is C14H16N2O.
What is the molecular weight of 1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (E,Z)-?
The molecular weight of 1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (E,Z)- is 228.13 g/mol.
Where can I buy 1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (E,Z)-?
You can request a quote for 1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (E,Z)- 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-(phenylmethylene)-, oxime, (E,Z)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (E,Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.