5,7-Dibromoquinolin-8-yl 2-nitrobenzenesulfonate
TL;DR: 5,7-Dibromoquinolin-8-yl 2-nitrobenzenesulfonate (CAS 459183-41-6) is a chemical compound with molecular formula C15H8Br2N2O5S and molecular weight 485.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,7-dibromoquinolin-8-yl) 2-nitrobenzenesulfonate
Also Known As: 5,7-dibromoquinolin-8-yl 2-nitrobenzenesulfonate, BAS 01549901, (5,7-dibromoquinolin-8-yl) 2-nitrobenzenesulfonate, 5,7-dibromoquinolin-8-yl 2-nitrobenzene-1-sulfonate, 5,7-dibromo-8-quinolyl 2-nitrobenzenesulfonate
| Molecular Formula | C15H8Br2N2O5S |
|---|---|
| Molecular Weight | 485.85 g/mol |
| LogP | 4.4357 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 485.85208 |
| Heavy Atoms | 25 |
| Complexity | 1102.2721 |
Chemical Identifiers
| CAS Number | 459183-41-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Br)Br |
Product Overview
5,7-Dibromoquinolin-8-yl 2-nitrobenzenesulfonate (CAS 459183-41-6), with molecular formula C15H8Br2N2O5S and molecular weight 485.85 g/mol. IUPAC: (5,7-dibromoquinolin-8-yl) 2-nitrobenzenesulfonate.
Chemical Property Profile of 5,7-Dibromoquinolin-8-yl 2-nitrobenzenesulfonate
Property Insights of 5,7-Dibromoquinolin-8-yl 2-nitrobenzenesulfonate
The XLogP value of 4.4357 indicates that 5,7-Dibromoquinolin-8-yl 2-nitrobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,7-Dibromoquinolin-8-yl 2-nitrobenzenesulfonate. Following Lipinski's Rule of Five, 5,7-Dibromoquinolin-8-yl 2-nitrobenzenesulfonate has 0 hydrogen bond donor(s) and 6 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 5,7-Dibromoquinolin-8-yl 2-nitrobenzenesulfonate?
The CAS number of 5,7-Dibromoquinolin-8-yl 2-nitrobenzenesulfonate is 459183-41-6.
What is the molecular formula of 5,7-Dibromoquinolin-8-yl 2-nitrobenzenesulfonate?
The molecular formula of 5,7-Dibromoquinolin-8-yl 2-nitrobenzenesulfonate is C15H8Br2N2O5S.
What is the molecular weight of 5,7-Dibromoquinolin-8-yl 2-nitrobenzenesulfonate?
The molecular weight of 5,7-Dibromoquinolin-8-yl 2-nitrobenzenesulfonate is 485.85 g/mol.
Where can I buy 5,7-Dibromoquinolin-8-yl 2-nitrobenzenesulfonate?
You can request a quote for 5,7-Dibromoquinolin-8-yl 2-nitrobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dibromoquinolin-8-yl 2-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dibromoquinolin-8-yl 2-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.