Benzoic acid 1-benzoyl-2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester
TL;DR: Benzoic acid 1-benzoyl-2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester (CAS 332019-37-1) is a chemical compound with molecular formula C26H23NO3 and molecular weight 397.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-benzoyl-2,2,4-trimethylquinolin-6-yl) benzoate
Also Known As: TimTec1_002354, BAS 00801982, (1-benzoyl-2,2,4-trimethylquinolin-6-yl) benzoate, Benzoic acid 1-benzoyl-2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester, BRD-K22644000-001-01-2
| Molecular Formula | C26H23NO3 |
|---|---|
| Molecular Weight | 397.17 g/mol |
| LogP | 5.7481 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.1678 |
| Heavy Atoms | 30 |
| Complexity | 1131.455 |
Chemical Identifiers
| CAS Number | 332019-37-1 |
|---|---|
| SMILES | CC1=CC(N(C2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)(C)C |
Product Overview
Benzoic acid 1-benzoyl-2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester (CAS 332019-37-1), with molecular formula C26H23NO3 and molecular weight 397.17 g/mol. IUPAC: (1-benzoyl-2,2,4-trimethylquinolin-6-yl) benzoate.
Chemical Property Profile of Benzoic acid 1-benzoyl-2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester
Property Insights of Benzoic acid 1-benzoyl-2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester
The XLogP value of 5.7481 indicates that Benzoic acid 1-benzoyl-2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, Benzoic acid 1-benzoyl-2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid 1-benzoyl-2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid 1-benzoyl-2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester?
The CAS number of Benzoic acid 1-benzoyl-2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester is 332019-37-1.
What is the molecular formula of Benzoic acid 1-benzoyl-2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester?
The molecular formula of Benzoic acid 1-benzoyl-2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester is C26H23NO3.
What is the molecular weight of Benzoic acid 1-benzoyl-2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester?
The molecular weight of Benzoic acid 1-benzoyl-2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester is 397.17 g/mol.
Where can I buy Benzoic acid 1-benzoyl-2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester?
You can request a quote for Benzoic acid 1-benzoyl-2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid 1-benzoyl-2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid 1-benzoyl-2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.