(2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate
TL;DR: (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate (CAS 307540-50-7) is a chemical compound with molecular formula C28H25NO4 and molecular weight 439.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,3-benzodioxol-5-yl(isoquinolin-1-yl)methyl] 4-tert-butylbenzoate
Also Known As: (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate, (benzo[1,3]dioxol-5-yl-isoquinolin-1-yl-methyl) 4-tert-butylbenzoate, [1,3-benzodioxol-5-yl(isoquinolin-1-yl)methyl] 4-tert-butylbenzoate, 2H-benzo[3,4-d]1,3-dioxolen-5-ylisoquinolylmethyl 4-(tert-butyl)benzoate
| Molecular Formula | C28H25NO4 |
|---|---|
| Molecular Weight | 439.18 g/mol |
| LogP | 6.2074 |
| Topological Polar Surface Area | 57.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.17834 |
| Heavy Atoms | 33 |
| Complexity | 1316.8115 |
Chemical Identifiers
| CAS Number | 307540-50-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC(C2=CC3=C(C=C2)OCO3)C4=NC=CC5=CC=CC=C54 |
Product Overview
(2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate (CAS 307540-50-7), with molecular formula C28H25NO4 and molecular weight 439.18 g/mol. IUPAC: [1,3-benzodioxol-5-yl(isoquinolin-1-yl)methyl] 4-tert-butylbenzoate.
Chemical Property Profile of (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate
Property Insights of (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate
The XLogP value of 6.2074 indicates that (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.65 Ų, (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate?
The CAS number of (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate is 307540-50-7.
What is the molecular formula of (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate?
The molecular formula of (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate is C28H25NO4.
What is the molecular weight of (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate?
The molecular weight of (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate is 439.18 g/mol.
Where can I buy (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate?
You can request a quote for (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.