2-Methyl-8-quinolinyl 3-bromobenzoate
TL;DR: 2-Methyl-8-quinolinyl 3-bromobenzoate (CAS 499197-01-2) is a chemical compound with molecular formula C17H12BrNO2 and molecular weight 341.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylquinolin-8-yl) 3-bromobenzoate
Also Known As: 2-methyl-8-quinolinyl 3-bromobenzoate, (2-methylquinolin-8-yl) 3-bromobenzoate, 2-methylquinolin-8-yl 3-bromobenzoate, UPCMLD0ENAT5389792:001, AO-854/40889287
| Molecular Formula | C17H12BrNO2 |
|---|---|
| Molecular Weight | 341.01 g/mol |
| LogP | 4.52492 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.00513 |
| Heavy Atoms | 21 |
| Complexity | 829.888 |
Chemical Identifiers
| CAS Number | 499197-01-2 |
|---|---|
| SMILES | CC1=NC2=C(C=CC=C2OC(=O)C3=CC(=CC=C3)Br)C=C1 |
Product Overview
2-Methyl-8-quinolinyl 3-bromobenzoate (CAS 499197-01-2), with molecular formula C17H12BrNO2 and molecular weight 341.01 g/mol. IUPAC: (2-methylquinolin-8-yl) 3-bromobenzoate.
Chemical Property Profile of 2-Methyl-8-quinolinyl 3-bromobenzoate
Property Insights of 2-Methyl-8-quinolinyl 3-bromobenzoate
The XLogP value of 4.52492 indicates that 2-Methyl-8-quinolinyl 3-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 2-Methyl-8-quinolinyl 3-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-8-quinolinyl 3-bromobenzoate has 0 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-Methyl-8-quinolinyl 3-bromobenzoate?
The CAS number of 2-Methyl-8-quinolinyl 3-bromobenzoate is 499197-01-2.
What is the molecular formula of 2-Methyl-8-quinolinyl 3-bromobenzoate?
The molecular formula of 2-Methyl-8-quinolinyl 3-bromobenzoate is C17H12BrNO2.
What is the molecular weight of 2-Methyl-8-quinolinyl 3-bromobenzoate?
The molecular weight of 2-Methyl-8-quinolinyl 3-bromobenzoate is 341.01 g/mol.
Where can I buy 2-Methyl-8-quinolinyl 3-bromobenzoate?
You can request a quote for 2-Methyl-8-quinolinyl 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-Methyl-8-quinolinyl 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-8-quinolinyl 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.