RefChem:314660
TL;DR: RefChem:314660 (CAS 54087-40-0) is a chemical compound with molecular formula C21H25N3O2 and molecular weight 351.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4-methyl-3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-2-(propylamino)acetamide
Also Known As: 2-(Propylamino)-N-(4-(1,2,3,4-tetrahydro-4-methyl-3-oxo-1-isoquinolinyl)phenyl)acetamide, Acetamide, 2-(propylamino)-N-(4-(1,2,3,4-tetrahydro-4-methyl-3-oxo-1-isoquinolinyl)phenyl)-, N-[4-(3-Hydroxy-4-methyl-1,4-dihydroisoquinolin-1-yl)phenyl]-N~2~-propylglycinamide, N-[4-(4-methyl-3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-2-(propylamino)acetamide, BRN 0498020
| Molecular Formula | C21H25N3O2 |
|---|---|
| Molecular Weight | 351.19 g/mol |
| LogP | 2.9474 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.19467 |
| Heavy Atoms | 26 |
| Complexity | 786.09814 |
Chemical Identifiers
| CAS Number | 54087-40-0 |
|---|---|
| SMILES | CCCNCC(=O)NC1=CC=C(C=C1)C2C3=CC=CC=C3C(C(=O)N2)C |
Product Overview
RefChem:314660 (CAS 54087-40-0), with molecular formula C21H25N3O2 and molecular weight 351.19 g/mol. IUPAC: N-[4-(4-methyl-3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-2-(propylamino)acetamide.
Chemical Property Profile of RefChem:314660
Property Insights of RefChem:314660
The XLogP value of 2.9474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:314660. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:314660. Following Lipinski's Rule of Five, RefChem:314660 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 RefChem:314660?
The CAS number of RefChem:314660 is 54087-40-0.
What is the molecular formula of RefChem:314660?
The molecular formula of RefChem:314660 is C21H25N3O2.
What is the molecular weight of RefChem:314660?
The molecular weight of RefChem:314660 is 351.19 g/mol.
Where can I buy RefChem:314660?
You can request a quote for RefChem:314660 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:314660?
Yes, KEHONG BIO provides custom synthesis services for RefChem:314660 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.