4-Oxo-4-(pyridin-2-ylmethylamino)but-2-enoic acid
TL;DR: 4-Oxo-4-(pyridin-2-ylmethylamino)but-2-enoic acid (CAS 400877-81-8) 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-2-ylmethylamino)but-2-enoic acid
Also Known As: 4-oxo-4-[(pyridin-2-ylmethyl)amino]but-2-enoic acid, 4-oxo-4-(pyridin-2-ylmethylamino)but-2-enoic acid
| Molecular Formula | C10H10N2O3 |
|---|---|
| Molecular Weight | 206.07 g/mol |
| LogP | 0.3386 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.06914 |
| Heavy Atoms | 15 |
| Complexity | 373.5137 |
Chemical Identifiers
| CAS Number | 400877-81-8 |
|---|---|
| SMILES | C1=CC=NC(=C1)CNC(=O)C=CC(=O)O |
Product Overview
4-Oxo-4-(pyridin-2-ylmethylamino)but-2-enoic acid (CAS 400877-81-8), with molecular formula C10H10N2O3 and molecular weight 206.07 g/mol. IUPAC: 4-oxo-4-(pyridin-2-ylmethylamino)but-2-enoic acid.
Chemical Property Profile of 4-Oxo-4-(pyridin-2-ylmethylamino)but-2-enoic acid
Property Insights of 4-Oxo-4-(pyridin-2-ylmethylamino)but-2-enoic acid
The XLogP value of 0.3386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4-(pyridin-2-ylmethylamino)but-2-enoic acid. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-(pyridin-2-ylmethylamino)but-2-enoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-(pyridin-2-ylmethylamino)but-2-enoic 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 4-Oxo-4-(pyridin-2-ylmethylamino)but-2-enoic acid?
The CAS number of 4-Oxo-4-(pyridin-2-ylmethylamino)but-2-enoic acid is 400877-81-8.
What is the molecular formula of 4-Oxo-4-(pyridin-2-ylmethylamino)but-2-enoic acid?
The molecular formula of 4-Oxo-4-(pyridin-2-ylmethylamino)but-2-enoic acid is C10H10N2O3.
What is the molecular weight of 4-Oxo-4-(pyridin-2-ylmethylamino)but-2-enoic acid?
The molecular weight of 4-Oxo-4-(pyridin-2-ylmethylamino)but-2-enoic acid is 206.07 g/mol.
Where can I buy 4-Oxo-4-(pyridin-2-ylmethylamino)but-2-enoic acid?
You can request a quote for 4-Oxo-4-(pyridin-2-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-2-ylmethylamino)but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-(pyridin-2-ylmethylamino)but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.