(E)-4-((4-amino-3-cyano-4-oxobut-2-en-2-yl)amino)butanoic acid
TL;DR: (E)-4-((4-amino-3-cyano-4-oxobut-2-en-2-yl)amino)butanoic acid (CAS 371199-64-3) is a chemical compound with molecular formula C9H13N3O3 and molecular weight 211.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]butanoic acid
Also Known As: (E)-4-((4-amino-3-cyano-4-oxobut-2-en-2-yl)amino)butanoic acid, 4-[(1-carbamoyl-1-cyano-prop-1-en-2-yl)amino]butanoic Acid, 4-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]butanoic acid, 4-{[(2E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino}butanoic acid
| Molecular Formula | C9H13N3O3 |
|---|---|
| Molecular Weight | 211.10 g/mol |
| LogP | -0.27632 |
| Topological Polar Surface Area | 116.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 211.09569 |
| Heavy Atoms | 15 |
| Complexity | 327.9845 |
Chemical Identifiers
| CAS Number | 371199-64-3 |
|---|---|
| SMILES | C/C(=C(/C#N)\C(=O)N)/NCCCC(=O)O |
Product Overview
(E)-4-((4-amino-3-cyano-4-oxobut-2-en-2-yl)amino)butanoic acid (CAS 371199-64-3), with molecular formula C9H13N3O3 and molecular weight 211.10 g/mol. IUPAC: 4-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]butanoic acid.
Chemical Property Profile of (E)-4-((4-amino-3-cyano-4-oxobut-2-en-2-yl)amino)butanoic acid
Property Insights of (E)-4-((4-amino-3-cyano-4-oxobut-2-en-2-yl)amino)butanoic acid
The XLogP value of -0.27632 indicates that (E)-4-((4-amino-3-cyano-4-oxobut-2-en-2-yl)amino)butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.21 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((4-amino-3-cyano-4-oxobut-2-en-2-yl)amino)butanoic acid. Following Lipinski's Rule of Five, (E)-4-((4-amino-3-cyano-4-oxobut-2-en-2-yl)amino)butanoic acid has 3 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 (E)-4-((4-amino-3-cyano-4-oxobut-2-en-2-yl)amino)butanoic acid?
The CAS number of (E)-4-((4-amino-3-cyano-4-oxobut-2-en-2-yl)amino)butanoic acid is 371199-64-3.
What is the molecular formula of (E)-4-((4-amino-3-cyano-4-oxobut-2-en-2-yl)amino)butanoic acid?
The molecular formula of (E)-4-((4-amino-3-cyano-4-oxobut-2-en-2-yl)amino)butanoic acid is C9H13N3O3.
What is the molecular weight of (E)-4-((4-amino-3-cyano-4-oxobut-2-en-2-yl)amino)butanoic acid?
The molecular weight of (E)-4-((4-amino-3-cyano-4-oxobut-2-en-2-yl)amino)butanoic acid is 211.10 g/mol.
Where can I buy (E)-4-((4-amino-3-cyano-4-oxobut-2-en-2-yl)amino)butanoic acid?
You can request a quote for (E)-4-((4-amino-3-cyano-4-oxobut-2-en-2-yl)amino)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((4-amino-3-cyano-4-oxobut-2-en-2-yl)amino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((4-amino-3-cyano-4-oxobut-2-en-2-yl)amino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.