5-Nitroquinolin-8-yl 4-methylbenzene-1-sulfonate
TL;DR: 5-Nitroquinolin-8-yl 4-methylbenzene-1-sulfonate (CAS 65741-91-5) is a chemical compound with molecular formula C16H12N2O5S and molecular weight 344.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-nitroquinolin-8-yl) 4-methylbenzenesulfonate
Also Known As: BAS 00463621, 5-nitroquinolin-8-yl 4-methylbenzene-1-sulfonate, (5-nitroquinolin-8-yl) 4-methylbenzenesulfonate, Toluene-4-sulfonic acid 5-nitro-quinolin-8-yl ester
| Molecular Formula | C16H12N2O5S |
|---|---|
| Molecular Weight | 344.05 g/mol |
| LogP | 3.21912 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.0467 |
| Heavy Atoms | 24 |
| Complexity | 1030.0221 |
Chemical Identifiers
| CAS Number | 65741-91-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3 |
Product Overview
5-Nitroquinolin-8-yl 4-methylbenzene-1-sulfonate (CAS 65741-91-5), with molecular formula C16H12N2O5S and molecular weight 344.05 g/mol. IUPAC: (5-nitroquinolin-8-yl) 4-methylbenzenesulfonate.
Chemical Property Profile of 5-Nitroquinolin-8-yl 4-methylbenzene-1-sulfonate
Property Insights of 5-Nitroquinolin-8-yl 4-methylbenzene-1-sulfonate
The XLogP value of 3.21912 indicates that 5-Nitroquinolin-8-yl 4-methylbenzene-1-sulfonate 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-Nitroquinolin-8-yl 4-methylbenzene-1-sulfonate. Following Lipinski's Rule of Five, 5-Nitroquinolin-8-yl 4-methylbenzene-1-sulfonate 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-Nitroquinolin-8-yl 4-methylbenzene-1-sulfonate?
The CAS number of 5-Nitroquinolin-8-yl 4-methylbenzene-1-sulfonate is 65741-91-5.
What is the molecular formula of 5-Nitroquinolin-8-yl 4-methylbenzene-1-sulfonate?
The molecular formula of 5-Nitroquinolin-8-yl 4-methylbenzene-1-sulfonate is C16H12N2O5S.
What is the molecular weight of 5-Nitroquinolin-8-yl 4-methylbenzene-1-sulfonate?
The molecular weight of 5-Nitroquinolin-8-yl 4-methylbenzene-1-sulfonate is 344.05 g/mol.
Where can I buy 5-Nitroquinolin-8-yl 4-methylbenzene-1-sulfonate?
You can request a quote for 5-Nitroquinolin-8-yl 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitroquinolin-8-yl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitroquinolin-8-yl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.