2-methylquinolin-8-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate
TL;DR: 2-methylquinolin-8-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate (CAS 879914-89-3) is a chemical compound with molecular formula C22H21NO4 and molecular weight 363.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylquinolin-8-yl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate
Also Known As: 2-methylquinolin-8-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate, (2-methylquinolin-8-yl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate, 2-methyl-8-quinolyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-ca rboxylate, 2-methylquinolin-8-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylate
| Molecular Formula | C22H21NO4 |
|---|---|
| Molecular Weight | 363.15 g/mol |
| LogP | 4.81894 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.14706 |
| Heavy Atoms | 27 |
| Complexity | 1091.131 |
Chemical Identifiers
| CAS Number | 879914-89-3 |
|---|---|
| SMILES | CC1=NC2=C(C=CC=C2OC(=O)C3=C(C4=C(O3)CC(CC4=O)(C)C)C)C=C1 |
Product Overview
2-methylquinolin-8-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate (CAS 879914-89-3), with molecular formula C22H21NO4 and molecular weight 363.15 g/mol. IUPAC: (2-methylquinolin-8-yl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate.
Chemical Property Profile of 2-methylquinolin-8-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate
Property Insights of 2-methylquinolin-8-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate
The XLogP value of 4.81894 indicates that 2-methylquinolin-8-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methylquinolin-8-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate. Following Lipinski's Rule of Five, 2-methylquinolin-8-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate has 0 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-methylquinolin-8-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate?
The CAS number of 2-methylquinolin-8-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate is 879914-89-3.
What is the molecular formula of 2-methylquinolin-8-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate?
The molecular formula of 2-methylquinolin-8-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate is C22H21NO4.
What is the molecular weight of 2-methylquinolin-8-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate?
The molecular weight of 2-methylquinolin-8-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate is 363.15 g/mol.
Where can I buy 2-methylquinolin-8-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate?
You can request a quote for 2-methylquinolin-8-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methylquinolin-8-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-methylquinolin-8-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.