(E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
TL;DR: (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide (CAS 849197-87-1) is a chemical compound with molecular formula C20H16BrN3O7 and molecular weight 489.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
Also Known As: (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide, 3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
| Molecular Formula | C20H16BrN3O7 |
|---|---|
| Molecular Weight | 489.02 g/mol |
| LogP | 3.69138 |
| Topological Polar Surface Area | 132.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.01715 |
| Heavy Atoms | 31 |
| Complexity | 1124.7322 |
Chemical Identifiers
| CAS Number | 849197-87-1 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)Br)OC |
Product Overview
(E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide (CAS 849197-87-1), with molecular formula C20H16BrN3O7 and molecular weight 489.02 g/mol. IUPAC: (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide.
Chemical Property Profile of (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
Property Insights of (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
The XLogP value of 3.69138 indicates that (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.95 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide has 1 hydrogen bond donor(s) and 8 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-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide?
The CAS number of (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide is 849197-87-1.
What is the molecular formula of (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide?
The molecular formula of (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide is C20H16BrN3O7.
What is the molecular weight of (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide?
The molecular weight of (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide is 489.02 g/mol.
Where can I buy (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide?
You can request a quote for (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-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-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.