RefChem:1075262
TL;DR: RefChem:1075262 (CAS 54087-43-3) 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-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(ethylamino)acetamide
Also Known As: Acetamide, 2-(ethylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)-, 2-(Ethylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide, n-[4-(4,4-dimethyl-3-oxo-1,2,3,4-tetrahydroisoquinolin-1-yl)phenyl]-n2-ethylglycinamide, N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl], N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(ethylamino)acetamide
| Molecular Formula | C21H25N3O2 |
|---|---|
| Molecular Weight | 351.19 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.19467 |
| Heavy Atoms | 26 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 54087-43-3 |
|---|---|
| SMILES | CCNCC(=O)NC1=CC=C(C=C1)C2C3=CC=CC=C3C(C(=O)N2)(C)C |
| InChIKey | OBFDDLLWPWKRAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1075262 (CAS 54087-43-3), with molecular formula C21H25N3O2 and molecular weight 351.19 g/mol. IUPAC: N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(ethylamino)acetamide.
Chemical Property Profile of RefChem:1075262
Property Insights of RefChem:1075262
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075262. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075262. Following Lipinski's Rule of Five, RefChem:1075262 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:1075262?
The CAS number of RefChem:1075262 is 54087-43-3.
What is the molecular formula of RefChem:1075262?
The molecular formula of RefChem:1075262 is C21H25N3O2.
What is the molecular weight of RefChem:1075262?
The molecular weight of RefChem:1075262 is 351.19 g/mol.
Where can I buy RefChem:1075262?
You can request a quote for RefChem:1075262 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075262?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075262 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.