3-(4-Pyridinyl)-2-propenoic acid
TL;DR: 3-(4-Pyridinyl)-2-propenoic acid (CAS 5337-79-1) 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.
3-pyridin-4-ylprop-2-enoic acid
Also Known As: 4-Pyridineacrylic acid, 3-(4-Pyridyl)acrylic acid, zlchem 78, 3-(pyridin-4-yl)acrylic acid, 3-(4-Pyridyl)acrylicacid
| 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 | 5337-79-1 |
|---|---|
| SMILES | C1=CN=CC=C1C=CC(=O)O |
| InChIKey | SSAYTINUCCRGDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Pyridinyl)-2-propenoic acid (CAS 5337-79-1), with molecular formula C8H7NO2 and molecular weight 149.05 g/mol. IUPAC: 3-pyridin-4-ylprop-2-enoic acid.
Chemical Property Profile of 3-(4-Pyridinyl)-2-propenoic acid
Property Insights of 3-(4-Pyridinyl)-2-propenoic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Pyridinyl)-2-propenoic acid. With a topological polar surface area (TPSA) of 50.2 Ų, 3-(4-Pyridinyl)-2-propenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Pyridinyl)-2-propenoic 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 3-(4-Pyridinyl)-2-propenoic acid?
The CAS number of 3-(4-Pyridinyl)-2-propenoic acid is 5337-79-1.
What is the molecular formula of 3-(4-Pyridinyl)-2-propenoic acid?
The molecular formula of 3-(4-Pyridinyl)-2-propenoic acid is C8H7NO2.
What is the molecular weight of 3-(4-Pyridinyl)-2-propenoic acid?
The molecular weight of 3-(4-Pyridinyl)-2-propenoic acid is 149.05 g/mol.
Where can I buy 3-(4-Pyridinyl)-2-propenoic acid?
You can request a quote for 3-(4-Pyridinyl)-2-propenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Pyridinyl)-2-propenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Pyridinyl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.