3-(3-Pyridyl)-acrylophenone
TL;DR: 3-(3-Pyridyl)-acrylophenone (CAS 4452-13-5) is a chemical compound with molecular formula C14H11NO and molecular weight 209.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-pyridin-3-ylprop-2-en-1-one
Also Known As: 3-(3-PYRIDYL)-ACRYLOPHENONE, 1-phenyl-3-pyridin-3-ylprop-2-en-1-one, (E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
| Molecular Formula | C14H11NO |
|---|---|
| Molecular Weight | 209.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.08406 |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 4452-13-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C=CC2=CN=CC=C2 |
| InChIKey | MHYINARESROASH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-Pyridyl)-acrylophenone (CAS 4452-13-5), with molecular formula C14H11NO and molecular weight 209.08 g/mol. IUPAC: 1-phenyl-3-pyridin-3-ylprop-2-en-1-one.
Chemical Property Profile of 3-(3-Pyridyl)-acrylophenone
Property Insights of 3-(3-Pyridyl)-acrylophenone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Pyridyl)-acrylophenone. With a topological polar surface area (TPSA) of 30.0 Ų, 3-(3-Pyridyl)-acrylophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Pyridyl)-acrylophenone 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 3-(3-Pyridyl)-acrylophenone?
The CAS number of 3-(3-Pyridyl)-acrylophenone is 4452-13-5.
What is the molecular formula of 3-(3-Pyridyl)-acrylophenone?
The molecular formula of 3-(3-Pyridyl)-acrylophenone is C14H11NO.
What is the molecular weight of 3-(3-Pyridyl)-acrylophenone?
The molecular weight of 3-(3-Pyridyl)-acrylophenone is 209.08 g/mol.
Where can I buy 3-(3-Pyridyl)-acrylophenone?
You can request a quote for 3-(3-Pyridyl)-acrylophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Pyridyl)-acrylophenone?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Pyridyl)-acrylophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.