4-Pyridineacrylic acid
TL;DR: 4-Pyridineacrylic acid (CAS 85606-67-3) is a chemical compound with molecular formula C8H7NO2 and molecular weight 149.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-pyridin-4-ylprop-2-enoic acid
Also Known As: 3-(4-Pyridyl)acrylic acid, 4-Pyridineacrylic acid, (e)-3-(pyridin-4-yl)acrylic acid, 3-(pyridin-4-yl)acrylic acid, trans-3-(4-pyridyl)acrylic acid
| Molecular Formula | C8H7NO2 |
|---|---|
| Molecular Weight | 149.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.04768 |
| Heavy Atoms | 11 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 85606-67-3 |
|---|---|
| SMILES | C1=CN=CC=C1/C=C/C(=O)O |
| InChIKey | SSAYTINUCCRGDR-OWOJBTEDSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Pyridineacrylic acid (CAS 85606-67-3), with molecular formula C8H7NO2 and molecular weight 149.05 g/mol. IUPAC: (E)-3-pyridin-4-ylprop-2-enoic acid.
Chemical Property Profile of 4-Pyridineacrylic acid
Property Insights of 4-Pyridineacrylic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyridineacrylic acid. With a topological polar surface area (TPSA) of 50.2 Ų, 4-Pyridineacrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyridineacrylic acid has 1 hydrogen bond donor(s) and 3 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 4-Pyridineacrylic acid?
The CAS number of 4-Pyridineacrylic acid is 85606-67-3.
What is the molecular formula of 4-Pyridineacrylic acid?
The molecular formula of 4-Pyridineacrylic acid is C8H7NO2.
What is the molecular weight of 4-Pyridineacrylic acid?
The molecular weight of 4-Pyridineacrylic acid is 149.05 g/mol.
Where can I buy 4-Pyridineacrylic acid?
You can request a quote for 4-Pyridineacrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyridineacrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyridineacrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.