RefChem:235194
TL;DR: RefChem:235194 (CAS 54087-62-6) is a chemical compound with molecular formula C26H33N3O2 and molecular weight 419.26 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]-4-pyrrolidin-1-ylbutanamide
Also Known As: 5-22-13-00150 (Beilstein Handbook Reference), N-(4-(1,2,3,4-Tetrahydro-1-isopropyl-3-oxo-1-isoquinolinyl)phenyl)-1-pyrrolidinebutanamide, 1-Pyrrolidinebutanamide, N-(4-(1,2,3,4-tetrahydro-4-(1-methylethyl)-3-oxo-1-isoquinolinyl)phenyl)-, N-[4-(3-oxo-4-propan-2-yl-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-4-pyrrolidin-1-ylbutanamide, N-{4-[3-Hydroxy-4-(propan-2-yl)-1,4-dihydroisoquinolin-1-yl]phenyl}-4-(pyrrolidin-1-yl)butanamide
| Molecular Formula | C26H33N3O2 |
|---|---|
| Molecular Weight | 419.26 g/mol |
| LogP | 4.4599 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.25726 |
| Heavy Atoms | 31 |
| Complexity | 916.5043 |
Chemical Identifiers
| CAS Number | 54087-62-6 |
|---|---|
| SMILES | CC(C)C1C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)NC(=O)CCCN4CCCC4 |
Product Overview
RefChem:235194 (CAS 54087-62-6), with molecular formula C26H33N3O2 and molecular weight 419.26 g/mol. IUPAC: N-[4-(3-oxo-4-propan-2-yl-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-4-pyrrolidin-1-ylbutanamide.
Chemical Property Profile of RefChem:235194
Property Insights of RefChem:235194
The XLogP value of 4.4599 indicates that RefChem:235194 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:235194. Following Lipinski's Rule of Five, RefChem:235194 has 2 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:235194?
The CAS number of RefChem:235194 is 54087-62-6.
What is the molecular formula of RefChem:235194?
The molecular formula of RefChem:235194 is C26H33N3O2.
What is the molecular weight of RefChem:235194?
The molecular weight of RefChem:235194 is 419.26 g/mol.
Where can I buy RefChem:235194?
You can request a quote for RefChem:235194 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:235194?
Yes, KEHONG BIO provides custom synthesis services for RefChem:235194 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.