![6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium structure](/static/products/8992/89923-56-8.webp)
6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium
TL;DR: 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium (CAS 89923-56-8) is a chemical compound with molecular formula C16H16N5O3S+ and molecular weight 358.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-methyl-4-nitroaniline
Also Known As: 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium, 6-METHOXY-3-METHYL-2-[3-METHYL-3-(4-NITROPHENYL)TRIAZ-1-EN-1-YL]-1,3-BENZOTHIAZOL-3-IUM
| Molecular Formula | C16H16N5O3S+ |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.09738 |
| Heavy Atoms | 25 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 89923-56-8 |
|---|---|
| SMILES | C[N+]1=C(SC2=C1C=CC(=C2)OC)N=NN(C)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | YLNKSBNIQQLVTR-UHFFFAOYSA-N |
Product Overview
6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium (CAS 89923-56-8), with molecular formula C16H16N5O3S+ and molecular weight 358.10 g/mol. IUPAC: N-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-methyl-4-nitroaniline.
Chemical Property Profile of 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium
Property Insights of 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium
The XLogP value of 4.9 indicates that 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium. Following Lipinski's Rule of Five, 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium has 0 hydrogen bond donor(s) and 7 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 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium?
The CAS number of 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium is 89923-56-8.
What is the molecular formula of 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium?
The molecular formula of 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium is C16H16N5O3S+.
What is the molecular weight of 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium?
The molecular weight of 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium is 358.10 g/mol.
Where can I buy 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium?
You can request a quote for 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium?
Yes, KEHONG BIO provides custom synthesis services for 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.