RefChem:314659
TL;DR: RefChem:314659 (CAS 54087-39-7) is a chemical compound with molecular formula C22H27N3O2 and molecular weight 365.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(propylamino)acetamide
Also Known As: 2-(Propylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide, Acetamide, 2-(propylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)-, ACETAMIDE,2-(PROPYLAMINO)-N-(4-(1,2,3,4-TETRAHYDRO-4,4-DIMETHYL-3-OXO-1-ISOQUINOLINYL)PHENYL)-, N-[4-(3-Hydroxy-4,4-dimethyl-1,4-dihydroisoquinolin-1-yl)phenyl]-N~2~-propylglycinamide, N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(propylamino)acetamide
| Molecular Formula | C22H27N3O2 |
|---|---|
| Molecular Weight | 365.21 g/mol |
| LogP | 3.1215 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.21033 |
| Heavy Atoms | 27 |
| Complexity | 827.7065 |
Chemical Identifiers
| CAS Number | 54087-39-7 |
|---|---|
| SMILES | CCCNCC(=O)NC1=CC=C(C=C1)C2C3=CC=CC=C3C(C(=O)N2)(C)C |
Product Overview
RefChem:314659 (CAS 54087-39-7), with molecular formula C22H27N3O2 and molecular weight 365.21 g/mol. IUPAC: N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(propylamino)acetamide.
Chemical Property Profile of RefChem:314659
Property Insights of RefChem:314659
The XLogP value of 3.1215 indicates that RefChem:314659 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:314659. Following Lipinski's Rule of Five, RefChem:314659 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:314659?
The CAS number of RefChem:314659 is 54087-39-7.
What is the molecular formula of RefChem:314659?
The molecular formula of RefChem:314659 is C22H27N3O2.
What is the molecular weight of RefChem:314659?
The molecular weight of RefChem:314659 is 365.21 g/mol.
Where can I buy RefChem:314659?
You can request a quote for RefChem:314659 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:314659?
Yes, KEHONG BIO provides custom synthesis services for RefChem:314659 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.