1-(4-Benzylidenepyridin-1(4H)-yl)ethan-1-one
TL;DR: 1-(4-Benzylidenepyridin-1(4H)-yl)ethan-1-one (CAS 67998-51-0) is a chemical compound with molecular formula C14H13NO and molecular weight 211.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzylidene-1-pyridinyl)ethanone
Also Known As: 1-(4-benzylidenepyridin-1-yl)ethanone, 1-(4-Benzylidenepyridin-1(4H)-yl)ethan-1-one, J1.168.767I, 1-(4-Benzylidene-1,4-dihydropyridine-1-yl)ethanone, 1-[4-(phenylmethylidene)-1,4-dihydropyridin-1-yl]ethan-1-one
| Molecular Formula | C14H13NO |
|---|---|
| Molecular Weight | 211.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.09972 |
| Heavy Atoms | 16 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 67998-51-0 |
|---|---|
| SMILES | CC(=O)N1C=CC(=CC2=CC=CC=C2)C=C1 |
| InChIKey | DZCBWYLPNKDPLT-UHFFFAOYSA-N |
Product Overview
1-(4-Benzylidenepyridin-1(4H)-yl)ethan-1-one (CAS 67998-51-0), with molecular formula C14H13NO and molecular weight 211.10 g/mol. IUPAC: 1-(4-benzylidene-1-pyridinyl)ethanone.
Chemical Property Profile of 1-(4-Benzylidenepyridin-1(4H)-yl)ethan-1-one
Property Insights of 1-(4-Benzylidenepyridin-1(4H)-yl)ethan-1-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Benzylidenepyridin-1(4H)-yl)ethan-1-one. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(4-Benzylidenepyridin-1(4H)-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Benzylidenepyridin-1(4H)-yl)ethan-1-one has 0 hydrogen bond donor(s) and 1 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-(4-Benzylidenepyridin-1(4H)-yl)ethan-1-one?
The CAS number of 1-(4-Benzylidenepyridin-1(4H)-yl)ethan-1-one is 67998-51-0.
What is the molecular formula of 1-(4-Benzylidenepyridin-1(4H)-yl)ethan-1-one?
The molecular formula of 1-(4-Benzylidenepyridin-1(4H)-yl)ethan-1-one is C14H13NO.
What is the molecular weight of 1-(4-Benzylidenepyridin-1(4H)-yl)ethan-1-one?
The molecular weight of 1-(4-Benzylidenepyridin-1(4H)-yl)ethan-1-one is 211.10 g/mol.
Where can I buy 1-(4-Benzylidenepyridin-1(4H)-yl)ethan-1-one?
You can request a quote for 1-(4-Benzylidenepyridin-1(4H)-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Benzylidenepyridin-1(4H)-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Benzylidenepyridin-1(4H)-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.