![(2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(4-pyridylmethyl)formamide structure](/static/products/1023/1023500-67-5.webp)
(2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(4-pyridylmethyl)formamide
TL;DR: (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(4-pyridylmethyl)formamide (CAS 1023500-67-5) is a chemical compound with molecular formula C27H21N3O4S and molecular weight 483.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-1-oxo-N-(pyridin-4-ylmethyl)-3-thiophen-3-yl-3,4-dihydroisoquinoline-4-carboxamide
Also Known As: (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(4-pyridylmethyl)formamide, 2-(1,3-benzodioxol-5-yl)-1-oxo-N-(pyridin-4-ylmethyl)-3-thiophen-3-yl-3,4-dihydroisoquinoline-4-carboxamide, 2-(1,3-benzodioxol-5-yl)-1-oxo-N-(4-pyridylmethyl)-3-(3-thienyl)-3,4-dihydroisoquinoline-4-carboxamide, 2-(2H-1,3-benzodioxol-5-yl)-1-oxo-N-[(pyridin-4-yl)methyl]-3-(thiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 2-(Benzo[d][1,3]dioxol-5-yl)-1-oxo-N-(pyridin-4-ylmethyl)-3-(thiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
| Molecular Formula | C27H21N3O4S |
|---|---|
| Molecular Weight | 483.13 g/mol |
| LogP | 4.6735 |
| Topological Polar Surface Area | 80.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 483.12527 |
| Heavy Atoms | 35 |
| Complexity | 1390.8289 |
Chemical Identifiers
| CAS Number | 1023500-67-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N3C(C(C4=CC=CC=C4C3=O)C(=O)NCC5=CC=NC=C5)C6=CSC=C6 |
Product Overview
(2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(4-pyridylmethyl)formamide (CAS 1023500-67-5), with molecular formula C27H21N3O4S and molecular weight 483.13 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-1-oxo-N-(pyridin-4-ylmethyl)-3-thiophen-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-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(4-pyridylmethyl)formamide
Property Insights of (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(4-pyridylmethyl)formamide
The XLogP value of 4.6735 indicates that (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(4-pyridylmethyl)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-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(4-pyridylmethyl)formamide. Following Lipinski's Rule of Five, (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(4-pyridylmethyl)formamide has 1 hydrogen bond donor(s) and 6 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-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(4-pyridylmethyl)formamide?
The CAS number of (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(4-pyridylmethyl)formamide is 1023500-67-5.
What is the molecular formula of (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(4-pyridylmethyl)formamide?
The molecular formula of (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(4-pyridylmethyl)formamide is C27H21N3O4S.
What is the molecular weight of (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(4-pyridylmethyl)formamide?
The molecular weight of (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(4-pyridylmethyl)formamide is 483.13 g/mol.
Where can I buy (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(4-pyridylmethyl)formamide?
You can request a quote for (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(4-pyridylmethyl)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-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(4-pyridylmethyl)formamide?
Yes, KEHONG BIO provides custom synthesis services for (2-benzo[3,4-d]1,3-dioxolen-5-yl-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(4-pyridylmethyl)formamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.