![2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine structure](/static/products/1064/106443-79-2.webp)
2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine
TL;DR: 2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine (CAS 106443-79-2) is a chemical compound with molecular formula C21H22N3S+ and molecular weight 348.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine
Also Known As: 1,3,3-Trimethyl-2-[2-[(2-methylbenzothiazol-6-yl)amino]ethenyl]-3H-indolium, 2-methyl-N-[2-(1,3,3-trimethylindol-2-yl)ethenyl]benzothiazol-6-amine, 1,3,3-Trimethyl-2-{2-[(2-methyl-1,3-benzothiazol-6-yl)amino]ethenyl}-3H-indolium, 2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine
| Molecular Formula | C21H22N3S+ |
|---|---|
| Molecular Weight | 348.15 g/mol |
| LogP | 5.23652 |
| Topological Polar Surface Area | 27.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.15344 |
| Heavy Atoms | 25 |
| Complexity | 1024.5521 |
Chemical Identifiers
| CAS Number | 106443-79-2 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=C(C=C2)NC=CC3=[N+](C4=CC=CC=C4C3(C)C)C |
Product Overview
2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine (CAS 106443-79-2), with molecular formula C21H22N3S+ and molecular weight 348.15 g/mol. IUPAC: 2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine.
Chemical Property Profile of 2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine
Property Insights of 2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine
The XLogP value of 5.23652 indicates that 2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.93 Ų, 2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine has 1 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 2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine?
The CAS number of 2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine is 106443-79-2.
What is the molecular formula of 2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine?
The molecular formula of 2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine is C21H22N3S+.
What is the molecular weight of 2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine?
The molecular weight of 2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine is 348.15 g/mol.
Where can I buy 2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine?
You can request a quote for 2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.