![(2E)-2-cyano-3-[(4-fluorophenyl)amino]but-2-enamide structure](/static/products/116/1164531-20-7.png)
(2E)-2-cyano-3-[(4-fluorophenyl)amino]but-2-enamide
TL;DR: (2E)-2-cyano-3-[(4-fluorophenyl)amino]but-2-enamide (CAS 1164531-20-7) is a chemical compound with molecular formula C11H10FN3O and molecular weight 219.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(4-fluoroanilino)but-2-enamide
Also Known As: (E)-2-cyano-3-(4-fluoroanilino)but-2-enamide, (E)-2-cyano-3-((4-fluorophenyl)amino)but-2-enamide, (2E)-2-cyano-3-[(4-fluorophenyl)amino]but-2-enamide
| Molecular Formula | C11H10FN3O |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.0808 |
| Heavy Atoms | 16 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 1164531-20-7 |
|---|---|
| SMILES | C/C(=C(/C#N)\C(=O)N)/NC1=CC=C(C=C1)F |
| InChIKey | QQZRHRYXZHXHHR-JXMROGBWSA-N |
Product Overview
(2E)-2-cyano-3-[(4-fluorophenyl)amino]but-2-enamide (CAS 1164531-20-7), with molecular formula C11H10FN3O and molecular weight 219.08 g/mol. IUPAC: (E)-2-cyano-3-(4-fluoroanilino)but-2-enamide.
Chemical Property Profile of (2E)-2-cyano-3-[(4-fluorophenyl)amino]but-2-enamide
Property Insights of (2E)-2-cyano-3-[(4-fluorophenyl)amino]but-2-enamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-cyano-3-[(4-fluorophenyl)amino]but-2-enamide. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-cyano-3-[(4-fluorophenyl)amino]but-2-enamide. Following Lipinski's Rule of Five, (2E)-2-cyano-3-[(4-fluorophenyl)amino]but-2-enamide 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 (2E)-2-cyano-3-[(4-fluorophenyl)amino]but-2-enamide?
The CAS number of (2E)-2-cyano-3-[(4-fluorophenyl)amino]but-2-enamide is 1164531-20-7.
What is the molecular formula of (2E)-2-cyano-3-[(4-fluorophenyl)amino]but-2-enamide?
The molecular formula of (2E)-2-cyano-3-[(4-fluorophenyl)amino]but-2-enamide is C11H10FN3O.
What is the molecular weight of (2E)-2-cyano-3-[(4-fluorophenyl)amino]but-2-enamide?
The molecular weight of (2E)-2-cyano-3-[(4-fluorophenyl)amino]but-2-enamide is 219.08 g/mol.
Where can I buy (2E)-2-cyano-3-[(4-fluorophenyl)amino]but-2-enamide?
You can request a quote for (2E)-2-cyano-3-[(4-fluorophenyl)amino]but-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-cyano-3-[(4-fluorophenyl)amino]but-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-cyano-3-[(4-fluorophenyl)amino]but-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.