![3-{3-Bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-2-cyanoprop-2-enamide structure](/static/products/4440/444089-73-0.webp)
3-{3-Bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-2-cyanoprop-2-enamide
TL;DR: 3-{3-Bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-2-cyanoprop-2-enamide (CAS 444089-73-0) is a chemical compound with molecular formula C18H14BrClN2O3 and molecular weight 419.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-2-cyanoprop-2-enamide
Also Known As: (Z)-3-[3-Bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-2-cyanoprop-2-enamide, 3-{3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-2-cyanoprop-2-enamide
| Molecular Formula | C18H14BrClN2O3 |
|---|---|
| Molecular Weight | 419.99 g/mol |
| LogP | 4.08238 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.98764 |
| Heavy Atoms | 25 |
| Complexity | 857.8603 |
Chemical Identifiers
| CAS Number | 444089-73-0 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C(/C#N)\C(=O)N)Br)OCC2=CC=C(C=C2)Cl |
Product Overview
3-{3-Bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-2-cyanoprop-2-enamide (CAS 444089-73-0), with molecular formula C18H14BrClN2O3 and molecular weight 419.99 g/mol. IUPAC: (Z)-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-2-cyanoprop-2-enamide.
Chemical Property Profile of 3-{3-Bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-2-cyanoprop-2-enamide
Property Insights of 3-{3-Bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-2-cyanoprop-2-enamide
The XLogP value of 4.08238 indicates that 3-{3-Bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-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-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-2-cyanoprop-2-enamide. Following Lipinski's Rule of Five, 3-{3-Bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-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-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-2-cyanoprop-2-enamide?
The CAS number of 3-{3-Bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-2-cyanoprop-2-enamide is 444089-73-0.
What is the molecular formula of 3-{3-Bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-2-cyanoprop-2-enamide?
The molecular formula of 3-{3-Bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-2-cyanoprop-2-enamide is C18H14BrClN2O3.
What is the molecular weight of 3-{3-Bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-2-cyanoprop-2-enamide?
The molecular weight of 3-{3-Bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-2-cyanoprop-2-enamide is 419.99 g/mol.
Where can I buy 3-{3-Bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-2-cyanoprop-2-enamide?
You can request a quote for 3-{3-Bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-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-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-2-cyanoprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-Bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-2-cyanoprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.