![5-chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate structure](/static/products/2377/23779-67-1.webp)
5-chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate
TL;DR: 5-chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate (CAS 23779-67-1) is a chemical compound with molecular formula C32H26ClN3O5S2 and molecular weight 631.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate
Also Known As: 2-Oxa-7,10,13-triaza-3-silatetradecan-14-amide,3,3-dimethoxy, 5-Chloro-3-methyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)ethen-1-yl]-6-nitro-1,3-benzothiazol-3-ium 4-methylbenzene-1-sulfonate, 5-Chloro-3-methyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium 4-methylbenzene-1-sulfonate, 5-Chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate, Toluene-4-sulfonate5-chloro-3-methyl-2-[(E)-2-(1-methyl-2-phenyl-1H-indol-3-yl)-vinyl]-6-nitro-benzothiazol-3-ium;
| Molecular Formula | C32H26ClN3O5S2 |
|---|---|
| Molecular Weight | 631.10 g/mol |
| LogP | 7.51562 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 631.1002 |
| Heavy Atoms | 43 |
| Complexity | 905.0 |
Chemical Identifiers
| CAS Number | 23779-67-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C=CC4=[N+](C5=CC(=C(C=C5S4)[N+](=O)[O-])Cl)C |
| InChIKey | IIJWCQGFEIXXJD-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate (CAS 23779-67-1), with molecular formula C32H26ClN3O5S2 and molecular weight 631.10 g/mol. IUPAC: 5-chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate.
Chemical Property Profile of 5-chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate
Property Insights of 5-chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate
The XLogP value of 7.51562 indicates that 5-chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting 5-chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate?
The CAS number of 5-chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate is 23779-67-1.
What is the molecular formula of 5-chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate?
The molecular formula of 5-chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate is C32H26ClN3O5S2.
What is the molecular weight of 5-chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate?
The molecular weight of 5-chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate is 631.10 g/mol.
Where can I buy 5-chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate?
You can request a quote for 5-chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.