(E)-ethyl 3-((2-chlorophenyl)amino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate
TL;DR: (E)-ethyl 3-((2-chlorophenyl)amino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate (CAS 1164543-02-5) is a chemical compound with molecular formula C22H23ClN2O3 and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-3-(2-chloroanilino)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-3-oxopropanoate
Also Known As: (E)-ethyl 3-((2-chlorophenyl)amino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate, ethyl (2E)-3-(2-chloroanilino)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-3-oxopropanoate, ethyl (2E)-3-[(2-chlorophenyl)amino]-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate, ETHYL 2-[(2-CHLOROPHENYL)CARBAMOYL]-2-[(1E)-3,3-DIMETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YLIDENE]ACETATE, ethyl 3-[(2-chlorophenyl)amino]-2-(3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)-3-oxopropanoate
| Molecular Formula | C22H23ClN2O3 |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 4.1772 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.1397 |
| Heavy Atoms | 28 |
| Complexity | 950.303 |
Chemical Identifiers
| CAS Number | 1164543-02-5 |
|---|---|
| SMILES | CCOC(=O)/C(=C/1\C2=CC=CC=C2CC(N1)(C)C)/C(=O)NC3=CC=CC=C3Cl |
Product Overview
(E)-ethyl 3-((2-chlorophenyl)amino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate (CAS 1164543-02-5), with molecular formula C22H23ClN2O3 and molecular weight 398.14 g/mol. IUPAC: ethyl (2E)-3-(2-chloroanilino)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-3-oxopropanoate.
Chemical Property Profile of (E)-ethyl 3-((2-chlorophenyl)amino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate
Property Insights of (E)-ethyl 3-((2-chlorophenyl)amino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate
The XLogP value of 4.1772 indicates that (E)-ethyl 3-((2-chlorophenyl)amino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 3-((2-chlorophenyl)amino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate. Following Lipinski's Rule of Five, (E)-ethyl 3-((2-chlorophenyl)amino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate has 2 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 (E)-ethyl 3-((2-chlorophenyl)amino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate?
The CAS number of (E)-ethyl 3-((2-chlorophenyl)amino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate is 1164543-02-5.
What is the molecular formula of (E)-ethyl 3-((2-chlorophenyl)amino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate?
The molecular formula of (E)-ethyl 3-((2-chlorophenyl)amino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate is C22H23ClN2O3.
What is the molecular weight of (E)-ethyl 3-((2-chlorophenyl)amino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate?
The molecular weight of (E)-ethyl 3-((2-chlorophenyl)amino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate is 398.14 g/mol.
Where can I buy (E)-ethyl 3-((2-chlorophenyl)amino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate?
You can request a quote for (E)-ethyl 3-((2-chlorophenyl)amino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 3-((2-chlorophenyl)amino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 3-((2-chlorophenyl)amino)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.