![3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide structure](/static/products/4779/477974-29-1.webp)
3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide
TL;DR: 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide (CAS 477974-29-1) 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.
(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-[(4-chlorophenyl)methyl]-2-cyanoprop-2-enamide
Also Known As: 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-[(4-chlorophenyl)methyl]-2-cyanoprop-2-enamide, (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-[(4-chlorophenyl)methyl]-2-cyanoprop-2-enamide
| Molecular Formula | C18H14BrClN2O3 |
|---|---|
| Molecular Weight | 419.99 g/mol |
| LogP | 4.04008 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.98764 |
| Heavy Atoms | 25 |
| Complexity | 857.8603 |
Chemical Identifiers
| CAS Number | 477974-29-1 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=C(C=C2)Cl)Br)O |
Product Overview
3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide (CAS 477974-29-1), with molecular formula C18H14BrClN2O3 and molecular weight 419.99 g/mol. IUPAC: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-[(4-chlorophenyl)methyl]-2-cyanoprop-2-enamide.
Chemical Property Profile of 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide
Property Insights of 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide
The XLogP value of 4.04008 indicates that 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide. Following Lipinski's Rule of Five, 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide has 2 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-hydroxy-5-methoxy-phenyl)-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide?
The CAS number of 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide is 477974-29-1.
What is the molecular formula of 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide?
The molecular formula of 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide is C18H14BrClN2O3.
What is the molecular weight of 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide?
The molecular weight of 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide is 419.99 g/mol.
Where can I buy 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide?
You can request a quote for 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-[(4-chlorophenyl)methyl]-2-cyano-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 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.