2-cyano-N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
TL;DR: 2-cyano-N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide (CAS 852868-53-2) is a chemical compound with molecular formula C18H12Cl2N2O3 and molecular weight 374.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
Also Known As: 2-cyano-N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
| Molecular Formula | C18H12Cl2N2O3 |
|---|---|
| Molecular Weight | 374.02 g/mol |
| LogP | 4.31028 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.0225 |
| Heavy Atoms | 25 |
| Complexity | 903.67957 |
Chemical Identifiers
| CAS Number | 852868-53-2 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C=C(C#N)C(=O)NC3=C(C=CC(=C3)Cl)Cl |
Product Overview
2-cyano-N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide (CAS 852868-53-2), with molecular formula C18H12Cl2N2O3 and molecular weight 374.02 g/mol. IUPAC: 2-cyano-N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide.
Chemical Property Profile of 2-cyano-N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
Property Insights of 2-cyano-N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
The XLogP value of 4.31028 indicates that 2-cyano-N-(2,5-dichlorophenyl)-3-(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 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide. Following Lipinski's Rule of Five, 2-cyano-N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide has 1 hydrogen bond donor(s) and 4 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-N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
The CAS number of 2-cyano-N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide is 852868-53-2.
What is the molecular formula of 2-cyano-N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
The molecular formula of 2-cyano-N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide is C18H12Cl2N2O3.
What is the molecular weight of 2-cyano-N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
The molecular weight of 2-cyano-N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide is 374.02 g/mol.
Where can I buy 2-cyano-N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
You can request a quote for 2-cyano-N-(2,5-dichlorophenyl)-3-(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-N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-N-(2,5-dichlorophenyl)-3-(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.