![3-{3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamide structure](/static/products/4445/444592-43-2.webp)
3-{3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamide
TL;DR: 3-{3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamide (CAS 444592-43-2) is a chemical compound with molecular formula C19H16BrFN2O3 and molecular weight 418.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide
Also Known As: 3-{3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamide, (E)-3-[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide
| Molecular Formula | C19H16BrFN2O3 |
|---|---|
| Molecular Weight | 418.03 g/mol |
| LogP | 3.95818 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.03284 |
| Heavy Atoms | 26 |
| Complexity | 890.8384 |
Chemical Identifiers
| CAS Number | 444592-43-2 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)N)Br)OCC2=CC=CC=C2F |
Product Overview
3-{3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamide (CAS 444592-43-2), with molecular formula C19H16BrFN2O3 and molecular weight 418.03 g/mol. IUPAC: (E)-3-[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide.
Chemical Property Profile of 3-{3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamide
Property Insights of 3-{3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamide
The XLogP value of 3.95818 indicates that 3-{3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamide. Following Lipinski's Rule of Five, 3-{3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2-cyanoprop-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
Frequently Asked Questions
What is the CAS number of 3-{3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamide?
The CAS number of 3-{3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamide is 444592-43-2.
What is the molecular formula of 3-{3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamide?
The molecular formula of 3-{3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamide is C19H16BrFN2O3.
What is the molecular weight of 3-{3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamide?
The molecular weight of 3-{3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamide is 418.03 g/mol.
Where can I buy 3-{3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamide?
You can request a quote for 3-{3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-Bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.