(2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile
TL;DR: (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile (CAS 524933-79-7) is a chemical compound with molecular formula C22H22N2O4 and molecular weight 378.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
Also Known As: (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile, (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile, (2E)-3-[3-methoxy-4-(phenylmethoxy)phenyl]-2-(morpholin-4-ylcarbonyl)prop-2-en enitrile, 3-[4-(benzyloxy)-3-methoxyphenyl]-2-(morpholine-4-carbonyl)prop-2-enenitrile
| Molecular Formula | C22H22N2O4 |
|---|---|
| Molecular Weight | 378.16 g/mol |
| LogP | 3.03998 |
| Topological Polar Surface Area | 71.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.15796 |
| Heavy Atoms | 28 |
| Complexity | 881.1549 |
Chemical Identifiers
| CAS Number | 524933-79-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N2CCOCC2)OCC3=CC=CC=C3 |
Product Overview
(2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile (CAS 524933-79-7), with molecular formula C22H22N2O4 and molecular weight 378.16 g/mol. IUPAC: (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile.
Chemical Property Profile of (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile
Property Insights of (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile
The XLogP value of 3.03998 indicates that (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.79 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 5 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)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile?
The CAS number of (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile is 524933-79-7.
What is the molecular formula of (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile?
The molecular formula of (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile is C22H22N2O4.
What is the molecular weight of (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile?
The molecular weight of (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile is 378.16 g/mol.
Where can I buy (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile?
You can request a quote for (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.