(2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide
TL;DR: (2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide (CAS 330998-53-3) is a chemical compound with molecular formula C20H21N3O3 and molecular weight 351.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide
Also Known As: (2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide, (E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)acetamide, N-(4-nitrophenyl)-2-(2,3,3-trimethyl(2,3,4-trihydroisoquinolylidene))acetamide, (2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)ethanamide
| Molecular Formula | C20H21N3O3 |
|---|---|
| Molecular Weight | 351.16 g/mol |
| LogP | 3.8409 |
| Topological Polar Surface Area | 75.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.1583 |
| Heavy Atoms | 26 |
| Complexity | 885.4293 |
Chemical Identifiers
| CAS Number | 330998-53-3 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2/C(=C\C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])/N1C)C |
Product Overview
(2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide (CAS 330998-53-3), with molecular formula C20H21N3O3 and molecular weight 351.16 g/mol. IUPAC: (2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide.
Chemical Property Profile of (2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide
Property Insights of (2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide
The XLogP value of 3.8409 indicates that (2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide. Following Lipinski's Rule of Five, (2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide has 1 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 (2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide?
The CAS number of (2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide is 330998-53-3.
What is the molecular formula of (2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide?
The molecular formula of (2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide is C20H21N3O3.
What is the molecular weight of (2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide?
The molecular weight of (2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide is 351.16 g/mol.
Where can I buy (2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide?
You can request a quote for (2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-N-(4-nitrophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.