2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 2-fluorobenzoate
TL;DR: 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 2-fluorobenzoate (CAS 327100-37-8) is a chemical compound with molecular formula C19H18FNO2 and molecular weight 311.13 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) 2-fluorobenzoate
Also Known As: BAS 00388427, 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-fluorobenzoate, (2,2,4-trimethyl-1H-quinolin-6-yl) 2-fluorobenzoate, 2-Fluoro-benzoic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester, 2,2,4-trimethyl-6-1,2-dihydroquinolyl 2-fluorobenzoate
| Molecular Formula | C19H18FNO2 |
|---|---|
| Molecular Weight | 311.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.13217 |
| Heavy Atoms | 23 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 327100-37-8 |
|---|---|
| SMILES | CC1=CC(NC2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3F)(C)C |
| InChIKey | SIHKJFKRXJNGAJ-UHFFFAOYSA-N |
Product Overview
2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 2-fluorobenzoate (CAS 327100-37-8), with molecular formula C19H18FNO2 and molecular weight 311.13 g/mol. IUPAC: (2,2,4-trimethyl-1H-quinolin-6-yl) 2-fluorobenzoate.
Chemical Property Profile of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 2-fluorobenzoate
Property Insights of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 2-fluorobenzoate
The XLogP value of 4.3 indicates that 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 2-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 2-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 2-fluorobenzoate has 1 hydrogen bond donor(s) and 4 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-dihydroquinolin-6-yl 2-fluorobenzoate?
The CAS number of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 2-fluorobenzoate is 327100-37-8.
What is the molecular formula of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 2-fluorobenzoate?
The molecular formula of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 2-fluorobenzoate is C19H18FNO2.
What is the molecular weight of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 2-fluorobenzoate?
The molecular weight of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 2-fluorobenzoate is 311.13 g/mol.
Where can I buy 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 2-fluorobenzoate?
You can request a quote for 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 2-fluorobenzoate 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-dihydroquinolin-6-yl 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.