(2Z)-2-(2-Furylmethylene)-3-oxo-2,3-dihydro-1H-inden-4-yl benzoate
TL;DR: (2Z)-2-(2-Furylmethylene)-3-oxo-2,3-dihydro-1H-inden-4-yl benzoate (CAS 91565-91-2) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
Also Known As: Anatabine, N-acetyl, 2-Furfurylidene-3-oxo-4-indanyl benzoate, 1-(3,6-dihydro[2,3'-bipyridin]-1(2H)-yl)Ethanone, 1-(2-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone, (2Z)-2-(2-Furylmethylene)-3-oxo-2,3-dihydro-1H-inden-4-yl benzoate
| Molecular Formula | C12H14N2O |
|---|---|
| Molecular Weight | 202.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.11061 |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 91565-91-2 |
|---|---|
| SMILES | CC(=O)N1CC=CCC1C2=CN=CC=C2 |
| InChIKey | CAYYVQDGGHLYMO-UHFFFAOYSA-N |
Product Overview
(2Z)-2-(2-Furylmethylene)-3-oxo-2,3-dihydro-1H-inden-4-yl benzoate (CAS 91565-91-2), with molecular formula C12H14N2O and molecular weight 202.11 g/mol. IUPAC: 1-(2-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
Chemical Property Profile of (2Z)-2-(2-Furylmethylene)-3-oxo-2,3-dihydro-1H-inden-4-yl benzoate
Property Insights of (2Z)-2-(2-Furylmethylene)-3-oxo-2,3-dihydro-1H-inden-4-yl benzoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-2-(2-Furylmethylene)-3-oxo-2,3-dihydro-1H-inden-4-yl benzoate. With a topological polar surface area (TPSA) of 33.2 Ų, (2Z)-2-(2-Furylmethylene)-3-oxo-2,3-dihydro-1H-inden-4-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-(2-Furylmethylene)-3-oxo-2,3-dihydro-1H-inden-4-yl benzoate has 0 hydrogen bond donor(s) and 2 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 (2Z)-2-(2-Furylmethylene)-3-oxo-2,3-dihydro-1H-inden-4-yl benzoate?
The CAS number of (2Z)-2-(2-Furylmethylene)-3-oxo-2,3-dihydro-1H-inden-4-yl benzoate is 91565-91-2.
What is the molecular formula of (2Z)-2-(2-Furylmethylene)-3-oxo-2,3-dihydro-1H-inden-4-yl benzoate?
The molecular formula of (2Z)-2-(2-Furylmethylene)-3-oxo-2,3-dihydro-1H-inden-4-yl benzoate is C12H14N2O.
What is the molecular weight of (2Z)-2-(2-Furylmethylene)-3-oxo-2,3-dihydro-1H-inden-4-yl benzoate?
The molecular weight of (2Z)-2-(2-Furylmethylene)-3-oxo-2,3-dihydro-1H-inden-4-yl benzoate is 202.11 g/mol.
Where can I buy (2Z)-2-(2-Furylmethylene)-3-oxo-2,3-dihydro-1H-inden-4-yl benzoate?
You can request a quote for (2Z)-2-(2-Furylmethylene)-3-oxo-2,3-dihydro-1H-inden-4-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-(2-Furylmethylene)-3-oxo-2,3-dihydro-1H-inden-4-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(2-Furylmethylene)-3-oxo-2,3-dihydro-1H-inden-4-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.