2-Methyl-8-quinolyl 2-chloro-5-nitrobenzenesulfonate
TL;DR: 2-Methyl-8-quinolyl 2-chloro-5-nitrobenzenesulfonate (CAS 313402-94-7) is a chemical compound with molecular formula C16H11ClN2O5S and molecular weight 378.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylquinolin-8-yl) 2-chloro-5-nitrobenzenesulfonate
Also Known As: BAS 00804421, 2-methyl-8-quinolyl 2-chloro-5-nitrobenzenesulfonate, 2-methylquinolin-8-yl 2-chloro-5-nitrobenzenesulfonate, (2-methylquinolin-8-yl) 2-chloro-5-nitrobenzenesulfonate, 2-Chloro-5-nitro-benzenesulfonic acid 2-methyl-quinolin-8-yl ester
| Molecular Formula | C16H11ClN2O5S |
|---|---|
| Molecular Weight | 378.01 g/mol |
| LogP | 3.87252 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.00772 |
| Heavy Atoms | 25 |
| Complexity | 1098.8755 |
Chemical Identifiers
| CAS Number | 313402-94-7 |
|---|---|
| SMILES | CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C=C1 |
Product Overview
2-Methyl-8-quinolyl 2-chloro-5-nitrobenzenesulfonate (CAS 313402-94-7), with molecular formula C16H11ClN2O5S and molecular weight 378.01 g/mol. IUPAC: (2-methylquinolin-8-yl) 2-chloro-5-nitrobenzenesulfonate.
Chemical Property Profile of 2-Methyl-8-quinolyl 2-chloro-5-nitrobenzenesulfonate
Property Insights of 2-Methyl-8-quinolyl 2-chloro-5-nitrobenzenesulfonate
The XLogP value of 3.87252 indicates that 2-Methyl-8-quinolyl 2-chloro-5-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 2-Methyl-8-quinolyl 2-chloro-5-nitrobenzenesulfonate. Following Lipinski's Rule of Five, 2-Methyl-8-quinolyl 2-chloro-5-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 2-Methyl-8-quinolyl 2-chloro-5-nitrobenzenesulfonate?
The CAS number of 2-Methyl-8-quinolyl 2-chloro-5-nitrobenzenesulfonate is 313402-94-7.
What is the molecular formula of 2-Methyl-8-quinolyl 2-chloro-5-nitrobenzenesulfonate?
The molecular formula of 2-Methyl-8-quinolyl 2-chloro-5-nitrobenzenesulfonate is C16H11ClN2O5S.
What is the molecular weight of 2-Methyl-8-quinolyl 2-chloro-5-nitrobenzenesulfonate?
The molecular weight of 2-Methyl-8-quinolyl 2-chloro-5-nitrobenzenesulfonate is 378.01 g/mol.
Where can I buy 2-Methyl-8-quinolyl 2-chloro-5-nitrobenzenesulfonate?
You can request a quote for 2-Methyl-8-quinolyl 2-chloro-5-nitrobenzenesulfonate 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-quinolyl 2-chloro-5-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-8-quinolyl 2-chloro-5-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.