(2,2,4-trimethyl-1H-quinolin-6-yl) 1,3-benzodioxole-5-carboxylate
TL;DR: (2,2,4-trimethyl-1H-quinolin-6-yl) 1,3-benzodioxole-5-carboxylate (CAS 332074-48-3) is a chemical compound with molecular formula C20H19NO4 and molecular weight 337.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,4-trimethyl-1H-quinolin-6-yl) 1,3-benzodioxole-5-carboxylate
Also Known As: (2,2,4-trimethyl-1H-quinolin-6-yl) 1,3-benzodioxole-5-carboxylate, 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 1,3-benzodioxole-5-carboxylate, 2,2,4-trimethyl-1,2-dihydro-6-quinolinyl 1,3-benzodioxole-5-carboxylate, 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl benzo[d][1,3]dioxole-5-carboxylate
| Molecular Formula | C20H19NO4 |
|---|---|
| Molecular Weight | 337.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.1314 |
| Heavy Atoms | 25 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 332074-48-3 |
|---|---|
| SMILES | CC1=CC(NC2=C1C=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4)(C)C |
| InChIKey | UARXAFLQIIVAOI-UHFFFAOYSA-N |
Product Overview
(2,2,4-trimethyl-1H-quinolin-6-yl) 1,3-benzodioxole-5-carboxylate (CAS 332074-48-3), with molecular formula C20H19NO4 and molecular weight 337.13 g/mol. IUPAC: (2,2,4-trimethyl-1H-quinolin-6-yl) 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of (2,2,4-trimethyl-1H-quinolin-6-yl) 1,3-benzodioxole-5-carboxylate
Property Insights of (2,2,4-trimethyl-1H-quinolin-6-yl) 1,3-benzodioxole-5-carboxylate
The XLogP value of 4.0 indicates that (2,2,4-trimethyl-1H-quinolin-6-yl) 1,3-benzodioxole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, (2,2,4-trimethyl-1H-quinolin-6-yl) 1,3-benzodioxole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,2,4-trimethyl-1H-quinolin-6-yl) 1,3-benzodioxole-5-carboxylate 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 (2,2,4-trimethyl-1H-quinolin-6-yl) 1,3-benzodioxole-5-carboxylate?
The CAS number of (2,2,4-trimethyl-1H-quinolin-6-yl) 1,3-benzodioxole-5-carboxylate is 332074-48-3.
What is the molecular formula of (2,2,4-trimethyl-1H-quinolin-6-yl) 1,3-benzodioxole-5-carboxylate?
The molecular formula of (2,2,4-trimethyl-1H-quinolin-6-yl) 1,3-benzodioxole-5-carboxylate is C20H19NO4.
What is the molecular weight of (2,2,4-trimethyl-1H-quinolin-6-yl) 1,3-benzodioxole-5-carboxylate?
The molecular weight of (2,2,4-trimethyl-1H-quinolin-6-yl) 1,3-benzodioxole-5-carboxylate is 337.13 g/mol.
Where can I buy (2,2,4-trimethyl-1H-quinolin-6-yl) 1,3-benzodioxole-5-carboxylate?
You can request a quote for (2,2,4-trimethyl-1H-quinolin-6-yl) 1,3-benzodioxole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,2,4-trimethyl-1H-quinolin-6-yl) 1,3-benzodioxole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (2,2,4-trimethyl-1H-quinolin-6-yl) 1,3-benzodioxole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.