![(2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-pyridyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide structure](/static/products/1024/1024448-61-0.webp)
(2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-pyridyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide
TL;DR: (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-pyridyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide (CAS 1024448-61-0) is a chemical compound with molecular formula C27H27N3O4 and molecular weight 457.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-N-(3-methylbutyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide
Also Known As: (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-pyridyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide, 2-(1,3-benzodioxol-5-yl)-N-(3-methylbutyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide, 2-(1,3-benzodioxol-5-yl)-N-isopentyl-1-oxo-3-(3-pyridyl)-3,4-dihydroisoquinoline-4-carboxamide, 2-(2H-1,3-benzodioxol-5-yl)-N-(3-methylbutyl)-1-oxo-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 2-(Benzo[d][1,3]dioxol-5-yl)-N-isopentyl-1-oxo-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
| Molecular Formula | C27H27N3O4 |
|---|---|
| Molecular Weight | 457.20 g/mol |
| LogP | 4.4579 |
| Topological Polar Surface Area | 80.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.20016 |
| Heavy Atoms | 34 |
| Complexity | 1211.5068 |
Chemical Identifiers
| CAS Number | 1024448-61-0 |
|---|---|
| SMILES | CC(C)CCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)C3=CC4=C(C=C3)OCO4)C5=CN=CC=C5 |
Product Overview
(2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-pyridyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide (CAS 1024448-61-0), with molecular formula C27H27N3O4 and molecular weight 457.20 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-N-(3-methylbutyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide.
Chemical Property Profile of (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-pyridyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide
Property Insights of (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-pyridyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide
The XLogP value of 4.4579 indicates that (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-pyridyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-pyridyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide. Following Lipinski's Rule of Five, (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-pyridyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide has 1 hydrogen bond donor(s) and 5 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 (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-pyridyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide?
The CAS number of (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-pyridyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide is 1024448-61-0.
What is the molecular formula of (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-pyridyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide?
The molecular formula of (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-pyridyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide is C27H27N3O4.
What is the molecular weight of (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-pyridyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide?
The molecular weight of (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-pyridyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide is 457.20 g/mol.
Where can I buy (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-pyridyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide?
You can request a quote for (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-pyridyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-pyridyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide?
Yes, KEHONG BIO provides custom synthesis services for (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-pyridyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.