(2E)-2-cyano-N-(naphthalen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide
TL;DR: (2E)-2-cyano-N-(naphthalen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide (CAS 340226-50-8) is a chemical compound with molecular formula C21H13N3O5 and molecular weight 387.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-N-naphthalen-2-yl-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide
Also Known As: (2E)-2-cyano-N-(naphthalen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide, (E)-2-cyano-N-naphthalen-2-yl-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide, 2-cyano-N-(naphthalen-2-yl)-3-(6-nitro-1,3-dioxaindan-5-yl)prop-2-enamide
| Molecular Formula | C21H13N3O5 |
|---|---|
| Molecular Weight | 387.09 g/mol |
| LogP | 4.02238 |
| Topological Polar Surface Area | 114.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.0855 |
| Heavy Atoms | 29 |
| Complexity | 1226.704 |
Chemical Identifiers
| CAS Number | 340226-50-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)/C=C(\C#N)/C(=O)NC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-] |
Product Overview
(2E)-2-cyano-N-(naphthalen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide (CAS 340226-50-8), with molecular formula C21H13N3O5 and molecular weight 387.09 g/mol. IUPAC: (E)-2-cyano-N-naphthalen-2-yl-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide.
Chemical Property Profile of (2E)-2-cyano-N-(naphthalen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide
Property Insights of (2E)-2-cyano-N-(naphthalen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide
The XLogP value of 4.02238 indicates that (2E)-2-cyano-N-(naphthalen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.49 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-cyano-N-(naphthalen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-2-cyano-N-(naphthalen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide has 1 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 (2E)-2-cyano-N-(naphthalen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide?
The CAS number of (2E)-2-cyano-N-(naphthalen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide is 340226-50-8.
What is the molecular formula of (2E)-2-cyano-N-(naphthalen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide?
The molecular formula of (2E)-2-cyano-N-(naphthalen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide is C21H13N3O5.
What is the molecular weight of (2E)-2-cyano-N-(naphthalen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide?
The molecular weight of (2E)-2-cyano-N-(naphthalen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide is 387.09 g/mol.
Where can I buy (2E)-2-cyano-N-(naphthalen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide?
You can request a quote for (2E)-2-cyano-N-(naphthalen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-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 (2E)-2-cyano-N-(naphthalen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-cyano-N-(naphthalen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.