RefChem:315788
TL;DR: RefChem:315788 (CAS 54087-47-7) is a chemical compound with molecular formula C23H27N3O3 and molecular weight 393.21 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-morpholin-4-ylacetamide
Also Known As: 4'-(4,4-Dimethyl-3-oxo-1,2,3,4-tetrahydroisoquinolyl)-2-morpholinoacetanilide, N-(4-(4,4-Dimethyl-3-oxo-1,2,3,4-tetrahydroisoquinolyl)phenyl)-2-morpholinoacetamide, Acetamide, N-(4-(4,4-dimethyl-3-oxo-1,2,3,4-tetrahydroisoquinolyl)phenyl)-2-morpholino-, Acetanilide, 4'-(4,4-dimethyl-3-oxo-1,2,3,4-tetrahydroisoquinol-1-yl)-2-(morpholino)-, N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-morpholin-4-ylacetamide
| Molecular Formula | C23H27N3O3 |
|---|---|
| Molecular Weight | 393.21 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.20523 |
| Heavy Atoms | 29 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 54087-47-7 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)NC(=O)CN4CCOCC4)C |
| InChIKey | MLRWWLPZXUSTOO-UHFFFAOYSA-N |
Product Overview
RefChem:315788 (CAS 54087-47-7), with molecular formula C23H27N3O3 and molecular weight 393.21 g/mol. IUPAC: N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-morpholin-4-ylacetamide.
Chemical Property Profile of RefChem:315788
Property Insights of RefChem:315788
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:315788. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:315788. Following Lipinski's Rule of Five, RefChem:315788 has 2 hydrogen bond donor(s) and 4 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:315788?
The CAS number of RefChem:315788 is 54087-47-7.
What is the molecular formula of RefChem:315788?
The molecular formula of RefChem:315788 is C23H27N3O3.
What is the molecular weight of RefChem:315788?
The molecular weight of RefChem:315788 is 393.21 g/mol.
Where can I buy RefChem:315788?
You can request a quote for RefChem:315788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:315788?
Yes, KEHONG BIO provides custom synthesis services for RefChem:315788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.