2,2,4-Trimethyl-1,2,3,4-tetrahydroquinolin-6-yl benzoate
TL;DR: 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinolin-6-yl benzoate (CAS 72107-06-3) is a chemical compound with molecular formula C19H21NO2 and molecular weight 295.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl) benzoate
Also Known As: 2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl benzoate, 6-Quinolinol, 1,2,3,4-tetrahydro-2,2,4-trimethyl-, 6-benzoate, 2,2,4-trimethyl-6-1,2,3,4-tetrahydroquinolyl benzoate, (2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl) benzoate
| Molecular Formula | C19H21NO2 |
|---|---|
| Molecular Weight | 295.16 g/mol |
| LogP | 4.6035 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.15723 |
| Heavy Atoms | 22 |
| Complexity | 691.8363 |
Chemical Identifiers
| CAS Number | 72107-06-3 |
|---|---|
| SMILES | CC1CC(NC2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3)(C)C |
Product Overview
2,2,4-Trimethyl-1,2,3,4-tetrahydroquinolin-6-yl benzoate (CAS 72107-06-3), with molecular formula C19H21NO2 and molecular weight 295.16 g/mol. IUPAC: (2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl) benzoate.
Chemical Property Profile of 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinolin-6-yl benzoate
Property Insights of 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinolin-6-yl benzoate
The XLogP value of 4.6035 indicates that 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinolin-6-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinolin-6-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinolin-6-yl benzoate has 1 hydrogen bond donor(s) and 3 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-1,2,3,4-tetrahydroquinolin-6-yl benzoate?
The CAS number of 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinolin-6-yl benzoate is 72107-06-3.
What is the molecular formula of 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinolin-6-yl benzoate?
The molecular formula of 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinolin-6-yl benzoate is C19H21NO2.
What is the molecular weight of 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinolin-6-yl benzoate?
The molecular weight of 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinolin-6-yl benzoate is 295.16 g/mol.
Where can I buy 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinolin-6-yl benzoate?
You can request a quote for 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinolin-6-yl benzoate 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-1,2,3,4-tetrahydroquinolin-6-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinolin-6-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.