N-(4-(1,2,3,4-Tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-1-pyrrolidinebutanamide
TL;DR: N-(4-(1,2,3,4-Tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-1-pyrrolidinebutanamide (CAS 54087-64-8) is a chemical compound with molecular formula C23H27N3O2 and molecular weight 377.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-4-pyrrolidin-1-ylbutanamide
Also Known As: 5-22-13-00138 (Beilstein Handbook Reference), N-(4-(1,2,3,4-Tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-1-pyrrolidinebutanamide, 1-Pyrrolidinebutanamide, N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-, N-[4-(3-OXO-2,4-DIHYDRO-1H-ISOQUINOLIN-1-YL)PHENYL]-4-PYRROLIDIN-1-YL-BUTANAMIDE, N-[4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-4-pyrrolidin-1-ylbutanamide
| Molecular Formula | C23H27N3O2 |
|---|---|
| Molecular Weight | 377.21 g/mol |
| LogP | 3.2628 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.21033 |
| Heavy Atoms | 28 |
| Complexity | 841.18085 |
Chemical Identifiers
| CAS Number | 54087-64-8 |
|---|---|
| SMILES | C1CCN(C1)CCCC(=O)NC2=CC=C(C=C2)C3C4=CC=CC=C4CC(=O)N3 |
Product Overview
N-(4-(1,2,3,4-Tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-1-pyrrolidinebutanamide (CAS 54087-64-8), with molecular formula C23H27N3O2 and molecular weight 377.21 g/mol. IUPAC: N-[4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-4-pyrrolidin-1-ylbutanamide.
Chemical Property Profile of N-(4-(1,2,3,4-Tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-1-pyrrolidinebutanamide
Property Insights of N-(4-(1,2,3,4-Tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-1-pyrrolidinebutanamide
The XLogP value of 3.2628 indicates that N-(4-(1,2,3,4-Tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-1-pyrrolidinebutanamide 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 N-(4-(1,2,3,4-Tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-1-pyrrolidinebutanamide. Following Lipinski's Rule of Five, N-(4-(1,2,3,4-Tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-1-pyrrolidinebutanamide 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 N-(4-(1,2,3,4-Tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-1-pyrrolidinebutanamide?
The CAS number of N-(4-(1,2,3,4-Tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-1-pyrrolidinebutanamide is 54087-64-8.
What is the molecular formula of N-(4-(1,2,3,4-Tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-1-pyrrolidinebutanamide?
The molecular formula of N-(4-(1,2,3,4-Tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-1-pyrrolidinebutanamide is C23H27N3O2.
What is the molecular weight of N-(4-(1,2,3,4-Tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-1-pyrrolidinebutanamide?
The molecular weight of N-(4-(1,2,3,4-Tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-1-pyrrolidinebutanamide is 377.21 g/mol.
Where can I buy N-(4-(1,2,3,4-Tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-1-pyrrolidinebutanamide?
You can request a quote for N-(4-(1,2,3,4-Tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-1-pyrrolidinebutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-(1,2,3,4-Tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-1-pyrrolidinebutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-(1,2,3,4-Tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-1-pyrrolidinebutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.