3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
TL;DR: 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide (CAS 750613-06-0) is a chemical compound with molecular formula C25H27N3O6 and molecular weight 465.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
Also Known As: 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide, 3-(2H-1,3-benzodioxol-5-yl)-2-cyano-N-[2,5-diethoxy-4-(morpholin-4-yl)phenyl]prop-2-enamide, 3-benzo[1,3]dioxol-5-yl-2-cyano-N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)prop-2-enamide
| Molecular Formula | C25H27N3O6 |
|---|---|
| Molecular Weight | 465.19 g/mol |
| LogP | 3.59498 |
| Topological Polar Surface Area | 102.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.18997 |
| Heavy Atoms | 34 |
| Complexity | 1118.3645 |
Chemical Identifiers
| CAS Number | 750613-06-0 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1NC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N)OCC)N4CCOCC4 |
Product Overview
3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide (CAS 750613-06-0), with molecular formula C25H27N3O6 and molecular weight 465.19 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide.
Chemical Property Profile of 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
Property Insights of 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
The XLogP value of 3.59498 indicates that 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)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 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide?
The CAS number of 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide is 750613-06-0.
What is the molecular formula of 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide?
The molecular formula of 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide is C25H27N3O6.
What is the molecular weight of 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide?
The molecular weight of 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide is 465.19 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide?
You can request a quote for 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)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 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.