![N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide structure](/static/products/857/857041-97-5.png)
N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
TL;DR: N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide (CAS 857041-97-5) is a chemical compound with molecular formula C18H14F2N2O2 and molecular weight 328.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
Also Known As: AB00733988-01, N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide, (E)-N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
| Molecular Formula | C18H14F2N2O2 |
|---|---|
| Molecular Weight | 328.10 g/mol |
| LogP | 3.51138 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.10233 |
| Heavy Atoms | 24 |
| Complexity | 750.83826 |
Chemical Identifiers
| CAS Number | 857041-97-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC=C(C=C2)OC(F)F)/C#N |
Product Overview
N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide (CAS 857041-97-5), with molecular formula C18H14F2N2O2 and molecular weight 328.10 g/mol. IUPAC: (E)-N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide.
Chemical Property Profile of N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
Property Insights of N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
The XLogP value of 3.51138 indicates that N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide. Following Lipinski's Rule of Five, N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide has 1 hydrogen bond donor(s) and 3 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 N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
The CAS number of N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide is 857041-97-5.
What is the molecular formula of N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
The molecular formula of N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide is C18H14F2N2O2.
What is the molecular weight of N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
The molecular weight of N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide is 328.10 g/mol.
Where can I buy N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
You can request a quote for N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.