4-Oxo-4-(pyridin-3-ylmethylamino)but-2-enoic acid
TL;DR: 4-Oxo-4-(pyridin-3-ylmethylamino)but-2-enoic acid (CAS 7252-23-5) is a chemical compound with molecular formula C10H10N2O3 and molecular weight 206.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(pyridin-3-ylmethylamino)but-2-enoic acid
Also Known As: 3-[(pyridin-3-ylmethyl)carbamoyl]prop-2-enoic acid, 4-oxo-4-(pyridin-3-ylmethylamino)but-2-enoic acid, 3-{[(pyridin-3-yl)methyl]carbamoyl}prop-2-enoic acid, 4-oxo-4-[(pyridin-3-ylmethyl)amino]but-2-enoic acid, (Z)-3-((PYRIDIN-3-YL)METHYLCARBAMOYL)PROP-2-ENOIC ACID
| Molecular Formula | C10H10N2O3 |
|---|---|
| Molecular Weight | 206.07 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.06914 |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 7252-23-5 |
|---|---|
| SMILES | C1=CC(=CN=C1)CNC(=O)C=CC(=O)O |
| InChIKey | TXGCHSXRGITSHI-UHFFFAOYSA-N |
Product Overview
4-Oxo-4-(pyridin-3-ylmethylamino)but-2-enoic acid (CAS 7252-23-5), with molecular formula C10H10N2O3 and molecular weight 206.07 g/mol. IUPAC: 4-oxo-4-(pyridin-3-ylmethylamino)but-2-enoic acid.
Chemical Property Profile of 4-Oxo-4-(pyridin-3-ylmethylamino)but-2-enoic acid
Property Insights of 4-Oxo-4-(pyridin-3-ylmethylamino)but-2-enoic acid
The XLogP value of -0.3 indicates that 4-Oxo-4-(pyridin-3-ylmethylamino)but-2-enoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-(pyridin-3-ylmethylamino)but-2-enoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-(pyridin-3-ylmethylamino)but-2-enoic acid has 2 hydrogen bond donor(s) and 4 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-(pyridin-3-ylmethylamino)but-2-enoic acid?
The CAS number of 4-Oxo-4-(pyridin-3-ylmethylamino)but-2-enoic acid is 7252-23-5.
What is the molecular formula of 4-Oxo-4-(pyridin-3-ylmethylamino)but-2-enoic acid?
The molecular formula of 4-Oxo-4-(pyridin-3-ylmethylamino)but-2-enoic acid is C10H10N2O3.
What is the molecular weight of 4-Oxo-4-(pyridin-3-ylmethylamino)but-2-enoic acid?
The molecular weight of 4-Oxo-4-(pyridin-3-ylmethylamino)but-2-enoic acid is 206.07 g/mol.
Where can I buy 4-Oxo-4-(pyridin-3-ylmethylamino)but-2-enoic acid?
You can request a quote for 4-Oxo-4-(pyridin-3-ylmethylamino)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-(pyridin-3-ylmethylamino)but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-(pyridin-3-ylmethylamino)but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.