Acetanilide, 4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)-
TL;DR: Acetanilide, 4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)- (CAS 54087-38-6) is a chemical compound with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-2-(propylamino)acetamide
Also Known As: 4'- -2- acetanilide, 4'-(3-Oxo-1,2,3,4-tetrahydroisoquinolyl)-2-propylaminoacetanilide, N-(4-(3-Oxo-1,2,3,4-tetrahydroisoquinolyl)phenyl)-2-propylaminoacetamide, Acetamide, N-(4-(3-oxo-1,2,3,4-tetrahydroisoquinolyl)phenyl)-2-propylamino-, ACETANILIDE, 4'-(3-OXO-1,2,3,4-TETRAHYDRO-1-ISOQUINOLYL)-2-(PROPYLAMINO)-
| Molecular Formula | C20H23N3O2 |
|---|---|
| Molecular Weight | 337.18 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.17902 |
| Heavy Atoms | 25 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 54087-38-6 |
|---|---|
| SMILES | CCCNCC(=O)NC1=CC=C(C=C1)C2C3=CC=CC=C3CC(=O)N2 |
| InChIKey | RFKFOPKQXURKAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetanilide, 4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)- (CAS 54087-38-6), with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol. IUPAC: N-[4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-2-(propylamino)acetamide.
Chemical Property Profile of Acetanilide, 4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)-
Property Insights of Acetanilide, 4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetanilide, 4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)-. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetanilide, 4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)-. Following Lipinski's Rule of Five, Acetanilide, 4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)- 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, 4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)-?
The CAS number of Acetanilide, 4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)- is 54087-38-6.
What is the molecular formula of Acetanilide, 4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)-?
The molecular formula of Acetanilide, 4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)- is C20H23N3O2.
What is the molecular weight of Acetanilide, 4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)-?
The molecular weight of Acetanilide, 4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)- is 337.18 g/mol.
Where can I buy Acetanilide, 4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)-?
You can request a quote for Acetanilide, 4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetanilide, 4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Acetanilide, 4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.