RefChem:315789
TL;DR: RefChem:315789 (CAS 54087-41-1) is a chemical compound with molecular formula C23H29N3O2 and molecular weight 379.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(3-oxo-4-propan-2-yl-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
Also Known As: 4'-(4-Isopropyl-3-oxo-1,2,3,4-tetrahydroisoquinolyl)-2-propylaminoacetanilide, Acetamide, N-(4-(4-isopropyl-3-oxo-1,2,3,4-tetrahydroisoquinolyl)phenyl)-2-propylamino-, Acetanilide, 4'-(4-isopropyl-3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)-, N-(4-(4-Isopropyl-3-oxo-1,2,3,4-tetrahydroisoquinolyl)phenyl)-2-propylaminoacetamide, Quinoline,5,6-dihydro-,compd. with 2,4,6-trinitrophenol (1:1)
| Molecular Formula | C23H29N3O2 |
|---|---|
| Molecular Weight | 379.23 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.22598 |
| Heavy Atoms | 28 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 54087-41-1 |
|---|---|
| SMILES | CC(C)C1C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)NC(=O)CNC(C)C |
| InChIKey | PWVTZSFIYJSYCX-UHFFFAOYSA-N |
Product Overview
RefChem:315789 (CAS 54087-41-1), with molecular formula C23H29N3O2 and molecular weight 379.23 g/mol. IUPAC: N-[4-(3-oxo-4-propan-2-yl-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide.
Chemical Property Profile of RefChem:315789
Property Insights of RefChem:315789
The XLogP value of 3.3 indicates that RefChem:315789 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:315789. Following Lipinski's Rule of Five, RefChem:315789 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:315789?
The CAS number of RefChem:315789 is 54087-41-1.
What is the molecular formula of RefChem:315789?
The molecular formula of RefChem:315789 is C23H29N3O2.
What is the molecular weight of RefChem:315789?
The molecular weight of RefChem:315789 is 379.23 g/mol.
Where can I buy RefChem:315789?
You can request a quote for RefChem:315789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:315789?
Yes, KEHONG BIO provides custom synthesis services for RefChem:315789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.