1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methyl 2-furoate
TL;DR: 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methyl 2-furoate (CAS 308294-80-6) is a chemical compound with molecular formula C22H15NO5 and molecular weight 373.10 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] furan-2-carboxylate
Also Known As: 1,3-benzodioxol-5-yl(isoquinolin-1-yl)methyl 2-furoate, AF-399/14943008, 1,3-benzodioxol-5-yl(1-isoquinolinyl)methyl 2-furoate, [1,3-benzodioxol-5-yl(isoquinolin-1-yl)methyl] furan-2-carboxylate, (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl furan-2-carboxylate
| Molecular Formula | C22H15NO5 |
|---|---|
| Molecular Weight | 373.10 g/mol |
| LogP | 4.5029 |
| Topological Polar Surface Area | 70.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.09503 |
| Heavy Atoms | 28 |
| Complexity | 1147.5358 |
Chemical Identifiers
| CAS Number | 308294-80-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(C3=NC=CC4=CC=CC=C43)OC(=O)C5=CC=CO5 |
Product Overview
1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methyl 2-furoate (CAS 308294-80-6), with molecular formula C22H15NO5 and molecular weight 373.10 g/mol. IUPAC: [1,3-benzodioxol-5-yl(isoquinolin-1-yl)methyl] furan-2-carboxylate.
Chemical Property Profile of 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methyl 2-furoate
Property Insights of 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methyl 2-furoate
The XLogP value of 4.5029 indicates that 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methyl 2-furoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methyl 2-furoate. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methyl 2-furoate has 0 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 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methyl 2-furoate?
The CAS number of 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methyl 2-furoate is 308294-80-6.
What is the molecular formula of 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methyl 2-furoate?
The molecular formula of 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methyl 2-furoate is C22H15NO5.
What is the molecular weight of 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methyl 2-furoate?
The molecular weight of 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methyl 2-furoate is 373.10 g/mol.
Where can I buy 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methyl 2-furoate?
You can request a quote for 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methyl 2-furoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methyl 2-furoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methyl 2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.