(2,2,4-trimethyl-1H-quinolin-6-yl) 3-bromobenzoate
TL;DR: (2,2,4-trimethyl-1H-quinolin-6-yl) 3-bromobenzoate (CAS 327099-48-9) is a chemical compound with molecular formula C19H18BrNO2 and molecular weight 371.05 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) 3-bromobenzoate
Also Known As: (2,2,4-trimethyl-1H-quinolin-6-yl) 3-bromobenzoate, BAS 00721906, 2,2,4-trimethyl-1,2-dihydro-6-quinolinyl 3-bromobenzoate, 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3-bromobenzoate, 2,2,4-trimethyl-6-1,2-dihydroquinolyl 3-bromobenzoate
| Molecular Formula | C19H18BrNO2 |
|---|---|
| Molecular Weight | 371.05 g/mol |
| LogP | 5.2757 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.0521 |
| Heavy Atoms | 23 |
| Complexity | 808.76697 |
Chemical Identifiers
| CAS Number | 327099-48-9 |
|---|---|
| SMILES | CC1=CC(NC2=C1C=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)(C)C |
Product Overview
(2,2,4-trimethyl-1H-quinolin-6-yl) 3-bromobenzoate (CAS 327099-48-9), with molecular formula C19H18BrNO2 and molecular weight 371.05 g/mol. IUPAC: (2,2,4-trimethyl-1H-quinolin-6-yl) 3-bromobenzoate.
Chemical Property Profile of (2,2,4-trimethyl-1H-quinolin-6-yl) 3-bromobenzoate
Property Insights of (2,2,4-trimethyl-1H-quinolin-6-yl) 3-bromobenzoate
The XLogP value of 5.2757 indicates that (2,2,4-trimethyl-1H-quinolin-6-yl) 3-bromobenzoate 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-1H-quinolin-6-yl) 3-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,2,4-trimethyl-1H-quinolin-6-yl) 3-bromobenzoate has 1 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 (2,2,4-trimethyl-1H-quinolin-6-yl) 3-bromobenzoate?
The CAS number of (2,2,4-trimethyl-1H-quinolin-6-yl) 3-bromobenzoate is 327099-48-9.
What is the molecular formula of (2,2,4-trimethyl-1H-quinolin-6-yl) 3-bromobenzoate?
The molecular formula of (2,2,4-trimethyl-1H-quinolin-6-yl) 3-bromobenzoate is C19H18BrNO2.
What is the molecular weight of (2,2,4-trimethyl-1H-quinolin-6-yl) 3-bromobenzoate?
The molecular weight of (2,2,4-trimethyl-1H-quinolin-6-yl) 3-bromobenzoate is 371.05 g/mol.
Where can I buy (2,2,4-trimethyl-1H-quinolin-6-yl) 3-bromobenzoate?
You can request a quote for (2,2,4-trimethyl-1H-quinolin-6-yl) 3-bromobenzoate 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) 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2,2,4-trimethyl-1H-quinolin-6-yl) 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.