3-Nitrobenzothiazolo(3,2-a)quinolinium
TL;DR: 3-Nitrobenzothiazolo(3,2-a)quinolinium (CAS 87707-12-8) is a chemical compound with molecular formula C15H9N2O2S+ and molecular weight 281.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-[1,3]benzothiazolo[3,2-a]quinolin-12-ium
Also Known As: NBQCl, 3-Nitrobenzothiazolo(3,2-a)quinolinium, Benzothiazolo(3,2-a)quinolinium, 3-nitro-, 3-Nitrobenzothiazolo(3,2-a)quinolinium chloride, 3-Nitrobenzothiazolo(3,2-a)quinolinium perchlorate
| Molecular Formula | C15H9N2O2S+ |
|---|---|
| Molecular Weight | 281.04 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 281.03848 |
| Heavy Atoms | 20 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 87707-12-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)[N+]3=C(S2)C=CC4=C3C=CC(=C4)[N+](=O)[O-] |
| InChIKey | KZSSUNYIALKHLQ-UHFFFAOYSA-N |
Product Overview
3-Nitrobenzothiazolo(3,2-a)quinolinium (CAS 87707-12-8), with molecular formula C15H9N2O2S+ and molecular weight 281.04 g/mol. IUPAC: 3-nitro-[1,3]benzothiazolo[3,2-a]quinolin-12-ium.
Chemical Property Profile of 3-Nitrobenzothiazolo(3,2-a)quinolinium
Property Insights of 3-Nitrobenzothiazolo(3,2-a)quinolinium
The XLogP value of 5.4 indicates that 3-Nitrobenzothiazolo(3,2-a)quinolinium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrobenzothiazolo(3,2-a)quinolinium. Following Lipinski's Rule of Five, 3-Nitrobenzothiazolo(3,2-a)quinolinium has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Nitrobenzothiazolo(3,2-a)quinolinium?
The CAS number of 3-Nitrobenzothiazolo(3,2-a)quinolinium is 87707-12-8.
What is the molecular formula of 3-Nitrobenzothiazolo(3,2-a)quinolinium?
The molecular formula of 3-Nitrobenzothiazolo(3,2-a)quinolinium is C15H9N2O2S+.
What is the molecular weight of 3-Nitrobenzothiazolo(3,2-a)quinolinium?
The molecular weight of 3-Nitrobenzothiazolo(3,2-a)quinolinium is 281.04 g/mol.
Where can I buy 3-Nitrobenzothiazolo(3,2-a)quinolinium?
You can request a quote for 3-Nitrobenzothiazolo(3,2-a)quinolinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrobenzothiazolo(3,2-a)quinolinium?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrobenzothiazolo(3,2-a)quinolinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.