![4-[(4-Methylpyridin-2-yl)amino]-4-oxobut-2-enoic acid structure](/static/products/847/847800-13-9.png)
4-[(4-Methylpyridin-2-yl)amino]-4-oxobut-2-enoic acid
TL;DR: 4-[(4-Methylpyridin-2-yl)amino]-4-oxobut-2-enoic acid (CAS 847800-13-9) 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-[(4-methyl-2-pyridinyl)amino]-4-oxobut-2-enoic acid
Also Known As: 1-morpholin-4-ylbut-2-ylamine, 4-[(4-methylpyridin-2-yl)amino]-4-oxobut-2-enoic acid, 3-[(4-methylpyridin-2-yl)carbamoyl]prop-2-enoic Acid, 2-Butenoic acid, 4-[(4-methyl-2-pyridinyl)amino]-4-oxo-, (2Z)-
| Molecular Formula | C10H10N2O3 |
|---|---|
| Molecular Weight | 206.07 g/mol |
| LogP | 0.96932 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.06914 |
| Heavy Atoms | 15 |
| Complexity | 412.88345 |
Chemical Identifiers
| CAS Number | 847800-13-9 |
|---|---|
| SMILES | CC1=CC(=NC=C1)NC(=O)C=CC(=O)O |
Product Overview
4-[(4-Methylpyridin-2-yl)amino]-4-oxobut-2-enoic acid (CAS 847800-13-9), with molecular formula C10H10N2O3 and molecular weight 206.07 g/mol. IUPAC: 4-[(4-methyl-2-pyridinyl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[(4-Methylpyridin-2-yl)amino]-4-oxobut-2-enoic acid
Property Insights of 4-[(4-Methylpyridin-2-yl)amino]-4-oxobut-2-enoic acid
The XLogP value of 0.96932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-Methylpyridin-2-yl)amino]-4-oxobut-2-enoic acid. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Methylpyridin-2-yl)amino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-[(4-Methylpyridin-2-yl)amino]-4-oxobut-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-[(4-Methylpyridin-2-yl)amino]-4-oxobut-2-enoic acid?
The CAS number of 4-[(4-Methylpyridin-2-yl)amino]-4-oxobut-2-enoic acid is 847800-13-9.
What is the molecular formula of 4-[(4-Methylpyridin-2-yl)amino]-4-oxobut-2-enoic acid?
The molecular formula of 4-[(4-Methylpyridin-2-yl)amino]-4-oxobut-2-enoic acid is C10H10N2O3.
What is the molecular weight of 4-[(4-Methylpyridin-2-yl)amino]-4-oxobut-2-enoic acid?
The molecular weight of 4-[(4-Methylpyridin-2-yl)amino]-4-oxobut-2-enoic acid is 206.07 g/mol.
Where can I buy 4-[(4-Methylpyridin-2-yl)amino]-4-oxobut-2-enoic acid?
You can request a quote for 4-[(4-Methylpyridin-2-yl)amino]-4-oxobut-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-[(4-Methylpyridin-2-yl)amino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Methylpyridin-2-yl)amino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.