(2-Methylquinolin-8-yl) 4-bromobenzenesulfonate
TL;DR: (2-Methylquinolin-8-yl) 4-bromobenzenesulfonate (CAS 683780-61-2) is a chemical compound with molecular formula C16H12BrNO3S and molecular weight 376.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylquinolin-8-yl) 4-bromobenzenesulfonate
Also Known As: (2-methylquinolin-8-yl) 4-bromobenzenesulfonate, 2-methyl-8-quinolyl 4-bromobenzenesulfonate, 2-methyl-8-quinolinyl 4-bromobenzenesulfonate, 8-(4-bromophenyl)sulfonyloxy-2-methyl-quinoline, 2-methylquinolin-8-yl 4-bromobenzene-1-sulfonate
| Molecular Formula | C16H12BrNO3S |
|---|---|
| Molecular Weight | 376.97 g/mol |
| LogP | 4.07342 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.97214 |
| Heavy Atoms | 22 |
| Complexity | 937.2671 |
Chemical Identifiers
| CAS Number | 683780-61-2 |
|---|---|
| SMILES | CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC=C(C=C3)Br)C=C1 |
Product Overview
(2-Methylquinolin-8-yl) 4-bromobenzenesulfonate (CAS 683780-61-2), with molecular formula C16H12BrNO3S and molecular weight 376.97 g/mol. IUPAC: (2-methylquinolin-8-yl) 4-bromobenzenesulfonate.
Chemical Property Profile of (2-Methylquinolin-8-yl) 4-bromobenzenesulfonate
Property Insights of (2-Methylquinolin-8-yl) 4-bromobenzenesulfonate
The XLogP value of 4.07342 indicates that (2-Methylquinolin-8-yl) 4-bromobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, (2-Methylquinolin-8-yl) 4-bromobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methylquinolin-8-yl) 4-bromobenzenesulfonate has 0 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-Methylquinolin-8-yl) 4-bromobenzenesulfonate?
The CAS number of (2-Methylquinolin-8-yl) 4-bromobenzenesulfonate is 683780-61-2.
What is the molecular formula of (2-Methylquinolin-8-yl) 4-bromobenzenesulfonate?
The molecular formula of (2-Methylquinolin-8-yl) 4-bromobenzenesulfonate is C16H12BrNO3S.
What is the molecular weight of (2-Methylquinolin-8-yl) 4-bromobenzenesulfonate?
The molecular weight of (2-Methylquinolin-8-yl) 4-bromobenzenesulfonate is 376.97 g/mol.
Where can I buy (2-Methylquinolin-8-yl) 4-bromobenzenesulfonate?
You can request a quote for (2-Methylquinolin-8-yl) 4-bromobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methylquinolin-8-yl) 4-bromobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (2-Methylquinolin-8-yl) 4-bromobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.