2-cyano-3-(4-methoxyphenyl)-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
TL;DR: 2-cyano-3-(4-methoxyphenyl)-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide (CAS 852845-82-0) is a chemical compound with molecular formula C19H15N3O6 and molecular weight 381.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
Also Known As: 2-cyano-3-(4-methoxyphenyl)-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide, (E)-2-cyano-3-(4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
| Molecular Formula | C19H15N3O6 |
|---|---|
| Molecular Weight | 381.10 g/mol |
| LogP | 2.92028 |
| Topological Polar Surface Area | 123.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.0961 |
| Heavy Atoms | 28 |
| Complexity | 991.9639 |
Chemical Identifiers
| CAS Number | 852845-82-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3 |
Product Overview
2-cyano-3-(4-methoxyphenyl)-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide (CAS 852845-82-0), with molecular formula C19H15N3O6 and molecular weight 381.10 g/mol. IUPAC: (E)-2-cyano-3-(4-methoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide.
Chemical Property Profile of 2-cyano-3-(4-methoxyphenyl)-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
Property Insights of 2-cyano-3-(4-methoxyphenyl)-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
The XLogP value of 2.92028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-3-(4-methoxyphenyl)-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide. The TPSA of 123.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-3-(4-methoxyphenyl)-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide. Following Lipinski's Rule of Five, 2-cyano-3-(4-methoxyphenyl)-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide has 1 hydrogen bond donor(s) and 7 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 2-cyano-3-(4-methoxyphenyl)-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
The CAS number of 2-cyano-3-(4-methoxyphenyl)-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide is 852845-82-0.
What is the molecular formula of 2-cyano-3-(4-methoxyphenyl)-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
The molecular formula of 2-cyano-3-(4-methoxyphenyl)-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide is C19H15N3O6.
What is the molecular weight of 2-cyano-3-(4-methoxyphenyl)-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
The molecular weight of 2-cyano-3-(4-methoxyphenyl)-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide is 381.10 g/mol.
Where can I buy 2-cyano-3-(4-methoxyphenyl)-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
You can request a quote for 2-cyano-3-(4-methoxyphenyl)-N-(7-nitro-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 2-cyano-3-(4-methoxyphenyl)-N-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-3-(4-methoxyphenyl)-N-(7-nitro-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.