![4-[4-(Dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid structure](/static/products/1026/1026765-64-9.webp)
4-[4-(Dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid
TL;DR: 4-[4-(Dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid (CAS 1026765-64-9) is a chemical compound with molecular formula C18H22N4O3 and molecular weight 342.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid
Also Known As: AF-399/42874470, 4-[4-(dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid, 4-[4-(dimethylamino)anilino]-4-oxo-2-[(2-pyridinylmethyl)amino]butanoic acid, F1278-0394, 3-{[4-(dimethylamino)phenyl]carbamoyl}-2-{[(pyridin-2-yl)methyl]amino}propanoic acid
| Molecular Formula | C18H22N4O3 |
|---|---|
| Molecular Weight | 342.17 g/mol |
| LogP | 1.7192 |
| Topological Polar Surface Area | 94.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 342.1692 |
| Heavy Atoms | 25 |
| Complexity | 702.02094 |
Chemical Identifiers
| CAS Number | 1026765-64-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCC2=CC=CC=N2 |
Product Overview
4-[4-(Dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid (CAS 1026765-64-9), with molecular formula C18H22N4O3 and molecular weight 342.17 g/mol. IUPAC: 4-[4-(dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid.
Chemical Property Profile of 4-[4-(Dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid
Property Insights of 4-[4-(Dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid
The XLogP value of 1.7192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(Dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid. The TPSA of 94.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(Dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid. Following Lipinski's Rule of Five, 4-[4-(Dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid has 3 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-[4-(Dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid?
The CAS number of 4-[4-(Dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid is 1026765-64-9.
What is the molecular formula of 4-[4-(Dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid?
The molecular formula of 4-[4-(Dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid is C18H22N4O3.
What is the molecular weight of 4-[4-(Dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid?
The molecular weight of 4-[4-(Dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid is 342.17 g/mol.
Where can I buy 4-[4-(Dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid?
You can request a quote for 4-[4-(Dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic 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-(Dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(Dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.