2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide
TL;DR: 2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide (CAS 1090821-35-4) is a chemical compound with molecular formula C13H10F2N2O and molecular weight 248.07613 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide
Also Known As: 2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide, (E)-2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide
Technical Specifications
| Molecular Formula | C13H10F2N2O |
| Molecular Weight | 248.07613 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.07613 Da |
| Heavy Atoms | 18 |
| Complexity | 408.0 |
| SMILES | C1CC1NC(=O)/C(=C/C2=CC(=C(C=C2)F)F)/C#N |
| InChIKey | UFVVKSCGYGFHCP-WEVVVXLNSA-N |
Chemical Property Profile of 2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide
Property Insights of 2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide. With a topological polar surface area (TPSA) of 52.9 Ų, 2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide 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
What is the CAS number of 2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide?
The CAS number of 2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide is 1090821-35-4.
What is the molecular formula of 2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide?
The molecular formula of 2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide is C13H10F2N2O.
What is the molecular weight of 2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide?
The molecular weight of 2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide is 248.07613 g/mol.
Where can I buy 2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide?
You can request a quote for 2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide?
Yes, CoreyChem provides custom synthesis services for 2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.