beta-(3-Pyridyl)styrene
TL;DR: beta-(3-Pyridyl)styrene (CAS 5097-91-6) is a chemical compound with molecular formula C13H11N and molecular weight 181.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-phenylethenyl)pyridine
Also Known As: 3-styryl-pyridine, beta-(3-pyridyl)styrene, Pyridine,3-(2-phenylethenyl)-, 3-(2-Phenylethenyl)pyridine, (E)-
| Molecular Formula | C13H11N |
|---|---|
| Molecular Weight | 181.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.08914 |
| Heavy Atoms | 14 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 5097-91-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC2=CN=CC=C2 |
| InChIKey | RMSGACVDMOLUPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-(3-Pyridyl)styrene (CAS 5097-91-6), with molecular formula C13H11N and molecular weight 181.09 g/mol. IUPAC: 3-(2-phenylethenyl)pyridine.
Chemical Property Profile of beta-(3-Pyridyl)styrene
Property Insights of beta-(3-Pyridyl)styrene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-(3-Pyridyl)styrene. With a topological polar surface area (TPSA) of 12.9 Ų, beta-(3-Pyridyl)styrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-(3-Pyridyl)styrene 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 beta-(3-Pyridyl)styrene?
The CAS number of beta-(3-Pyridyl)styrene is 5097-91-6.
What is the molecular formula of beta-(3-Pyridyl)styrene?
The molecular formula of beta-(3-Pyridyl)styrene is C13H11N.
What is the molecular weight of beta-(3-Pyridyl)styrene?
The molecular weight of beta-(3-Pyridyl)styrene is 181.09 g/mol.
Where can I buy beta-(3-Pyridyl)styrene?
You can request a quote for beta-(3-Pyridyl)styrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-(3-Pyridyl)styrene?
Yes, KEHONG BIO provides custom synthesis services for beta-(3-Pyridyl)styrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.