(2E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one
TL;DR: (2E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one (CAS 902045-31-2) is a chemical compound with molecular formula C26H30ClNO5 and molecular weight 471.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)prop-2-en-1-one
Also Known As: (2E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one, (E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one, (E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)prop-2-en-1-one
| Molecular Formula | C26H30ClNO5 |
|---|---|
| Molecular Weight | 471.18 g/mol |
| LogP | 5.6135 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 471.18124 |
| Heavy Atoms | 33 |
| Complexity | 1063.1332 |
Chemical Identifiers
| CAS Number | 902045-31-2 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1Cl)/C=C/C(=O)N2CCC3=CC(=C(C=C3C2=C)OC)OC)OCC |
Product Overview
(2E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one (CAS 902045-31-2), with molecular formula C26H30ClNO5 and molecular weight 471.18 g/mol. IUPAC: (E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)prop-2-en-1-one.
Chemical Property Profile of (2E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one
Property Insights of (2E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one
The XLogP value of 5.6135 indicates that (2E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.23 Ų, (2E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one?
The CAS number of (2E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one is 902045-31-2.
What is the molecular formula of (2E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one?
The molecular formula of (2E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one is C26H30ClNO5.
What is the molecular weight of (2E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one?
The molecular weight of (2E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one is 471.18 g/mol.
Where can I buy (2E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one?
You can request a quote for (2E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.