(E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide
TL;DR: (E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide (CAS 1164526-52-6) is a chemical compound with molecular formula C12H12FN3O and molecular weight 233.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)prop-2-enamide
Also Known As: (2E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)prop-2-enamide, (E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide, (E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)prop-2-enamide, (E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)acrylamide, (2E)-2-Cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide
| Molecular Formula | C12H12FN3O |
|---|---|
| Molecular Weight | 233.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.09644 |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 1164526-52-6 |
|---|---|
| SMILES | CN(C)/C=C(\C#N)/C(=O)NC1=CC=C(C=C1)F |
| InChIKey | VFNBJZDUYCFFLY-CMDGGOBGSA-N |
Product Overview
(E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide (CAS 1164526-52-6), with molecular formula C12H12FN3O and molecular weight 233.10 g/mol. IUPAC: (E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)prop-2-enamide.
Chemical Property Profile of (E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide
Property Insights of (E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide. With a topological polar surface area (TPSA) of 56.1 Ų, (E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide has 1 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)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide?
The CAS number of (E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide is 1164526-52-6.
What is the molecular formula of (E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide?
The molecular formula of (E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide is C12H12FN3O.
What is the molecular weight of (E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide?
The molecular weight of (E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide is 233.10 g/mol.
Where can I buy (E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide?
You can request a quote for (E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.