4-Oxo-4-(pyrimidin-2-ylamino)but-2-enoic acid
TL;DR: 4-Oxo-4-(pyrimidin-2-ylamino)but-2-enoic acid (CAS 42574-73-2) is a chemical compound with molecular formula C8H7N3O3 and molecular weight 193.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(pyrimidin-2-ylamino)but-2-enoic acid
Also Known As: 4-oxo-4-(pyrimidin-2-ylamino)but-2-enoic acid, 3-(Pyrimidin-2-ylcarbamoyl)-acrylic acid, 3-(pyrimidin-2-ylcarbamoyl)prop-2-enoic Acid
| Molecular Formula | C8H7N3O3 |
|---|---|
| Molecular Weight | 193.05 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.04874 |
| Heavy Atoms | 14 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 42574-73-2 |
|---|---|
| SMILES | C1=CN=C(N=C1)NC(=O)C=CC(=O)O |
| InChIKey | SPOFPHPGESYASY-UHFFFAOYSA-N |
Product Overview
4-Oxo-4-(pyrimidin-2-ylamino)but-2-enoic acid (CAS 42574-73-2), with molecular formula C8H7N3O3 and molecular weight 193.05 g/mol. IUPAC: 4-oxo-4-(pyrimidin-2-ylamino)but-2-enoic acid.
Chemical Property Profile of 4-Oxo-4-(pyrimidin-2-ylamino)but-2-enoic acid
Property Insights of 4-Oxo-4-(pyrimidin-2-ylamino)but-2-enoic acid
The XLogP value of -1.0 indicates that 4-Oxo-4-(pyrimidin-2-ylamino)but-2-enoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-(pyrimidin-2-ylamino)but-2-enoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-(pyrimidin-2-ylamino)but-2-enoic acid has 2 hydrogen bond donor(s) and 5 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-Oxo-4-(pyrimidin-2-ylamino)but-2-enoic acid?
The CAS number of 4-Oxo-4-(pyrimidin-2-ylamino)but-2-enoic acid is 42574-73-2.
What is the molecular formula of 4-Oxo-4-(pyrimidin-2-ylamino)but-2-enoic acid?
The molecular formula of 4-Oxo-4-(pyrimidin-2-ylamino)but-2-enoic acid is C8H7N3O3.
What is the molecular weight of 4-Oxo-4-(pyrimidin-2-ylamino)but-2-enoic acid?
The molecular weight of 4-Oxo-4-(pyrimidin-2-ylamino)but-2-enoic acid is 193.05 g/mol.
Where can I buy 4-Oxo-4-(pyrimidin-2-ylamino)but-2-enoic acid?
You can request a quote for 4-Oxo-4-(pyrimidin-2-ylamino)but-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-4-(pyrimidin-2-ylamino)but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-(pyrimidin-2-ylamino)but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.