Acetanilide, 2-(methylamino)-4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-
TL;DR: Acetanilide, 2-(methylamino)-4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)- (CAS 54087-44-4) is a chemical compound with molecular formula C18H19N3O2 and molecular weight 309.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methylamino)-N-[4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]acetamide
Also Known As: 2- -4'- acetanilide, Acetanilide,2,3,4-tetrahydroisoquinolyl)-, 2-Methylamino-4'-(3-oxo-1,2,3,4-tetrahydroisoquinolyl)acetanilide, ACETANILIDE, 2-(METHYLAMINO)-4'-(3-OXO-1,2,3,4-TETRAHYDRO-1-ISOQUINOLYL)-, 2-Methylamino-N-(4-(3-oxo-1,2,3,4-tetrahydroisoquinolyl)phenyl)acetamide
| Molecular Formula | C18H19N3O2 |
|---|---|
| Molecular Weight | 309.15 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.14774 |
| Heavy Atoms | 23 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 54087-44-4 |
|---|---|
| SMILES | CNCC(=O)NC1=CC=C(C=C1)C2C3=CC=CC=C3CC(=O)N2 |
| InChIKey | MWAVQYYNMDPWIO-UHFFFAOYSA-N |
Product Overview
Acetanilide, 2-(methylamino)-4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)- (CAS 54087-44-4), with molecular formula C18H19N3O2 and molecular weight 309.15 g/mol. IUPAC: 2-(methylamino)-N-[4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]acetamide.
Chemical Property Profile of Acetanilide, 2-(methylamino)-4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-
Property Insights of Acetanilide, 2-(methylamino)-4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetanilide, 2-(methylamino)-4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetanilide, 2-(methylamino)-4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-. Following Lipinski's Rule of Five, Acetanilide, 2-(methylamino)-4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)- has 3 hydrogen bond donor(s) and 3 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 Acetanilide, 2-(methylamino)-4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-?
The CAS number of Acetanilide, 2-(methylamino)-4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)- is 54087-44-4.
What is the molecular formula of Acetanilide, 2-(methylamino)-4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-?
The molecular formula of Acetanilide, 2-(methylamino)-4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)- is C18H19N3O2.
What is the molecular weight of Acetanilide, 2-(methylamino)-4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-?
The molecular weight of Acetanilide, 2-(methylamino)-4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)- is 309.15 g/mol.
Where can I buy Acetanilide, 2-(methylamino)-4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-?
You can request a quote for Acetanilide, 2-(methylamino)-4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetanilide, 2-(methylamino)-4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-?
Yes, KEHONG BIO provides custom synthesis services for Acetanilide, 2-(methylamino)-4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.