3-(Pyridin-4-ylcarbamoyl)-acrylic acid
TL;DR: 3-(Pyridin-4-ylcarbamoyl)-acrylic acid (CAS 85649-72-5) is a chemical compound with molecular formula C9H8N2O3 and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-oxo-4-(pyridin-4-ylamino)but-2-enoic acid
Also Known As: 3-(Pyridin-4-ylcarbamoyl)-acrylic acid, (E)-4-Oxo-4-(4-pyridinylamino)-2-butenoic Acid, (E)-4-oxo-4-(pyridin-4-ylamino)but-2-enoic acid
| Molecular Formula | C9H8N2O3 |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 0.6609 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.0535 |
| Heavy Atoms | 14 |
| Complexity | 359.57962 |
Chemical Identifiers
| CAS Number | 85649-72-5 |
|---|---|
| SMILES | C1=CN=CC=C1NC(=O)/C=C/C(=O)O |
Product Overview
3-(Pyridin-4-ylcarbamoyl)-acrylic acid (CAS 85649-72-5), with molecular formula C9H8N2O3 and molecular weight 192.05 g/mol. IUPAC: (E)-4-oxo-4-(pyridin-4-ylamino)but-2-enoic acid.
Chemical Property Profile of 3-(Pyridin-4-ylcarbamoyl)-acrylic acid
Property Insights of 3-(Pyridin-4-ylcarbamoyl)-acrylic acid
The XLogP value of 0.6609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Pyridin-4-ylcarbamoyl)-acrylic acid. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Pyridin-4-ylcarbamoyl)-acrylic acid. Following Lipinski's Rule of Five, 3-(Pyridin-4-ylcarbamoyl)-acrylic acid has 2 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-(Pyridin-4-ylcarbamoyl)-acrylic acid?
The CAS number of 3-(Pyridin-4-ylcarbamoyl)-acrylic acid is 85649-72-5.
What is the molecular formula of 3-(Pyridin-4-ylcarbamoyl)-acrylic acid?
The molecular formula of 3-(Pyridin-4-ylcarbamoyl)-acrylic acid is C9H8N2O3.
What is the molecular weight of 3-(Pyridin-4-ylcarbamoyl)-acrylic acid?
The molecular weight of 3-(Pyridin-4-ylcarbamoyl)-acrylic acid is 192.05 g/mol.
Where can I buy 3-(Pyridin-4-ylcarbamoyl)-acrylic acid?
You can request a quote for 3-(Pyridin-4-ylcarbamoyl)-acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Pyridin-4-ylcarbamoyl)-acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pyridin-4-ylcarbamoyl)-acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.