(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
TL;DR: (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide (CAS 867282-64-2) is a chemical compound with molecular formula C19H15N3O7 and molecular weight 397.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
Also Known As: (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide, 2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
| Molecular Formula | C19H15N3O7 |
|---|---|
| Molecular Weight | 397.09 g/mol |
| LogP | 2.62588 |
| Topological Polar Surface Area | 143.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.091 |
| Heavy Atoms | 29 |
| Complexity | 1056.4988 |
Chemical Identifiers
| CAS Number | 867282-64-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)O |
Product Overview
(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide (CAS 867282-64-2), with molecular formula C19H15N3O7 and molecular weight 397.09 g/mol. IUPAC: (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide.
Chemical Property Profile of (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
Property Insights of (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
The XLogP value of 2.62588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide. The TPSA of 143.95 Ų indicates high polarity, suggesting (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide has 2 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)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide?
The CAS number of (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide is 867282-64-2.
What is the molecular formula of (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide?
The molecular formula of (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide is C19H15N3O7.
What is the molecular weight of (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide?
The molecular weight of (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide is 397.09 g/mol.
Where can I buy (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide?
You can request a quote for (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-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)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-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.