(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
TL;DR: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide (CAS 796993-07-2) is a chemical compound with molecular formula C19H15BrN2O5 and molecular weight 430.02 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)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
Also Known As: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
| Molecular Formula | C19H15BrN2O5 |
|---|---|
| Molecular Weight | 430.02 g/mol |
| LogP | 3.48018 |
| Topological Polar Surface Area | 100.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.01642 |
| Heavy Atoms | 27 |
| Complexity | 965.30286 |
Chemical Identifiers
| CAS Number | 796993-07-2 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2)OCCO3)Br)O |
Product Overview
(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide (CAS 796993-07-2), with molecular formula C19H15BrN2O5 and molecular weight 430.02 g/mol. IUPAC: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide.
Chemical Property Profile of (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
Property Insights of (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
The XLogP value of 3.48018 indicates that (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide has 2 hydrogen bond donor(s) and 6 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 (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
The CAS number of (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide is 796993-07-2.
What is the molecular formula of (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
The molecular formula of (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide is C19H15BrN2O5.
What is the molecular weight of (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
The molecular weight of (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide is 430.02 g/mol.
Where can I buy (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
You can request a quote for (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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 (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.