2-(2-Furylmethylene)quinuclidin-3-one oxime
TL;DR: 2-(2-Furylmethylene)quinuclidin-3-one oxime (CAS 779992-33-5) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[(2Z)-2-(furan-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
Also Known As: 2-(2-furylmethylene)quinuclidin-3-one oxime, BAS 03662541, 2-Furan-2-ylmethylene-1-aza-bicyclo[2.2.2]octan-3-one oxime, (NE)-N-[(2Z)-2-(furan-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 2.1763 |
| Topological Polar Surface Area | 48.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 425.88104 |
Chemical Identifiers
| CAS Number | 779992-33-5 |
|---|---|
| SMILES | C1CN\2CCC1/C(=N\O)/C2=C/C3=CC=CO3 |
Product Overview
2-(2-Furylmethylene)quinuclidin-3-one oxime (CAS 779992-33-5), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: (NE)-N-[(2Z)-2-(furan-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine.
Chemical Property Profile of 2-(2-Furylmethylene)quinuclidin-3-one oxime
Property Insights of 2-(2-Furylmethylene)quinuclidin-3-one oxime
The XLogP value of 2.1763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Furylmethylene)quinuclidin-3-one oxime. With a topological polar surface area (TPSA) of 48.97 Ų, 2-(2-Furylmethylene)quinuclidin-3-one oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Furylmethylene)quinuclidin-3-one oxime has 1 hydrogen bond donor(s) and 4 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-(2-Furylmethylene)quinuclidin-3-one oxime?
The CAS number of 2-(2-Furylmethylene)quinuclidin-3-one oxime is 779992-33-5.
What is the molecular formula of 2-(2-Furylmethylene)quinuclidin-3-one oxime?
The molecular formula of 2-(2-Furylmethylene)quinuclidin-3-one oxime is C12H14N2O2.
What is the molecular weight of 2-(2-Furylmethylene)quinuclidin-3-one oxime?
The molecular weight of 2-(2-Furylmethylene)quinuclidin-3-one oxime is 218.11 g/mol.
Where can I buy 2-(2-Furylmethylene)quinuclidin-3-one oxime?
You can request a quote for 2-(2-Furylmethylene)quinuclidin-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-(2-Furylmethylene)quinuclidin-3-one oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Furylmethylene)quinuclidin-3-one oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.