3-(4-Morpholinyl)-4-(3,4,5-trimethoxyphenyl)-2-butenenitrile
TL;DR: 3-(4-Morpholinyl)-4-(3,4,5-trimethoxyphenyl)-2-butenenitrile (CAS 374565-61-4) is a chemical compound with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)but-2-enenitrile
Also Known As: 3-(4-MORPHOLINYL)-4-(3,4,5-TRIMETHOXYPHENYL)-2-BUTENENITRILE, 3-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)but-2-enenitrile, (Z)-3-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)but-2-enenitrile, 103-396-4, RefChem:493350
| Molecular Formula | C17H22N2O4 |
|---|---|
| Molecular Weight | 318.16 g/mol |
| LogP | 1.99458 |
| Topological Polar Surface Area | 63.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.15796 |
| Heavy Atoms | 23 |
| Complexity | 576.0963 |
Chemical Identifiers
| CAS Number | 374565-61-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C/C(=C/C#N)/N2CCOCC2 |
Product Overview
3-(4-Morpholinyl)-4-(3,4,5-trimethoxyphenyl)-2-butenenitrile (CAS 374565-61-4), with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol. IUPAC: (Z)-3-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)but-2-enenitrile.
Chemical Property Profile of 3-(4-Morpholinyl)-4-(3,4,5-trimethoxyphenyl)-2-butenenitrile
Property Insights of 3-(4-Morpholinyl)-4-(3,4,5-trimethoxyphenyl)-2-butenenitrile
The XLogP value of 1.99458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Morpholinyl)-4-(3,4,5-trimethoxyphenyl)-2-butenenitrile. The TPSA of 63.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Morpholinyl)-4-(3,4,5-trimethoxyphenyl)-2-butenenitrile. Following Lipinski's Rule of Five, 3-(4-Morpholinyl)-4-(3,4,5-trimethoxyphenyl)-2-butenenitrile has 0 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 3-(4-Morpholinyl)-4-(3,4,5-trimethoxyphenyl)-2-butenenitrile?
The CAS number of 3-(4-Morpholinyl)-4-(3,4,5-trimethoxyphenyl)-2-butenenitrile is 374565-61-4.
What is the molecular formula of 3-(4-Morpholinyl)-4-(3,4,5-trimethoxyphenyl)-2-butenenitrile?
The molecular formula of 3-(4-Morpholinyl)-4-(3,4,5-trimethoxyphenyl)-2-butenenitrile is C17H22N2O4.
What is the molecular weight of 3-(4-Morpholinyl)-4-(3,4,5-trimethoxyphenyl)-2-butenenitrile?
The molecular weight of 3-(4-Morpholinyl)-4-(3,4,5-trimethoxyphenyl)-2-butenenitrile is 318.16 g/mol.
Where can I buy 3-(4-Morpholinyl)-4-(3,4,5-trimethoxyphenyl)-2-butenenitrile?
You can request a quote for 3-(4-Morpholinyl)-4-(3,4,5-trimethoxyphenyl)-2-butenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Morpholinyl)-4-(3,4,5-trimethoxyphenyl)-2-butenenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Morpholinyl)-4-(3,4,5-trimethoxyphenyl)-2-butenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.