1-(4'-(Ethylaminoacetyl)amino)phenyl-3-oxo-tetrahydroisoquinoline
TL;DR: 1-(4'-(Ethylaminoacetyl)amino)phenyl-3-oxo-tetrahydroisoquinoline (CAS 54087-42-2) is a chemical compound with molecular formula C19H21N3O2 and molecular weight 323.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(ethylamino)-N-[4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]acetamide
Also Known As: 1-(4'-(Ethylaminoacetyl)amino)phenyl-3-oxo-tetrahydroisoquinoline, 2-(Ethylamino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)acetamide, Acetamide, 2-(ethylamino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-, ACETAMIDE,2-(ETHYLAMINO)-N-(4-(1,2,3,4-TETRAHYDRO-3-OXO-1-ISOQUINOLINYL)PHENYL)-, N~2~-Ethyl-N-[4-(3-hydroxy-1,4-dihydroisoquinolin-1-yl)phenyl]glycinamide
| Molecular Formula | C19H21N3O2 |
|---|---|
| Molecular Weight | 323.16 g/mol |
| LogP | 1.9963 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.1634 |
| Heavy Atoms | 24 |
| Complexity | 740.53204 |
Chemical Identifiers
| CAS Number | 54087-42-2 |
|---|---|
| SMILES | CCNCC(=O)NC1=CC=C(C=C1)C2C3=CC=CC=C3CC(=O)N2 |
Product Overview
1-(4'-(Ethylaminoacetyl)amino)phenyl-3-oxo-tetrahydroisoquinoline (CAS 54087-42-2), with molecular formula C19H21N3O2 and molecular weight 323.16 g/mol. IUPAC: 2-(ethylamino)-N-[4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]acetamide.
Chemical Property Profile of 1-(4'-(Ethylaminoacetyl)amino)phenyl-3-oxo-tetrahydroisoquinoline
Property Insights of 1-(4'-(Ethylaminoacetyl)amino)phenyl-3-oxo-tetrahydroisoquinoline
The XLogP value of 1.9963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4'-(Ethylaminoacetyl)amino)phenyl-3-oxo-tetrahydroisoquinoline. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4'-(Ethylaminoacetyl)amino)phenyl-3-oxo-tetrahydroisoquinoline. Following Lipinski's Rule of Five, 1-(4'-(Ethylaminoacetyl)amino)phenyl-3-oxo-tetrahydroisoquinoline 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 1-(4'-(Ethylaminoacetyl)amino)phenyl-3-oxo-tetrahydroisoquinoline?
The CAS number of 1-(4'-(Ethylaminoacetyl)amino)phenyl-3-oxo-tetrahydroisoquinoline is 54087-42-2.
What is the molecular formula of 1-(4'-(Ethylaminoacetyl)amino)phenyl-3-oxo-tetrahydroisoquinoline?
The molecular formula of 1-(4'-(Ethylaminoacetyl)amino)phenyl-3-oxo-tetrahydroisoquinoline is C19H21N3O2.
What is the molecular weight of 1-(4'-(Ethylaminoacetyl)amino)phenyl-3-oxo-tetrahydroisoquinoline?
The molecular weight of 1-(4'-(Ethylaminoacetyl)amino)phenyl-3-oxo-tetrahydroisoquinoline is 323.16 g/mol.
Where can I buy 1-(4'-(Ethylaminoacetyl)amino)phenyl-3-oxo-tetrahydroisoquinoline?
You can request a quote for 1-(4'-(Ethylaminoacetyl)amino)phenyl-3-oxo-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4'-(Ethylaminoacetyl)amino)phenyl-3-oxo-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-(4'-(Ethylaminoacetyl)amino)phenyl-3-oxo-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.