![3-ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole chloride structure](/static/products/2331/23312-11-0.webp)
3-ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole chloride
TL;DR: 3-ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole chloride (CAS 23312-11-0) is a chemical compound with molecular formula C21H19ClN4O4S2 and molecular weight 490.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole chloride
Also Known As: 3-Ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-6-nitro-1,3-benzothiazol-3-ium chloride
| Molecular Formula | C21H19ClN4O4S2 |
|---|---|
| Molecular Weight | 490.05 g/mol |
| LogP | 2.5159 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.05362 |
| Heavy Atoms | 32 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 23312-11-0 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=CC=CC3=[N+](C4=C(S3)C=C(C=C4)[N+](=O)[O-])CC.[Cl-] |
| InChIKey | WGQSXDTWWANNBK-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole chloride (CAS 23312-11-0), with molecular formula C21H19ClN4O4S2 and molecular weight 490.05 g/mol. IUPAC: 3-ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole chloride.
Chemical Property Profile of 3-ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole chloride
Property Insights of 3-ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole chloride
The XLogP value of 2.5159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole chloride. The TPSA of 152.0 Ų indicates high polarity, suggesting 3-ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole chloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole chloride has 0 hydrogen bond donor(s) and 8 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 3-ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole chloride?
The CAS number of 3-ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole chloride is 23312-11-0.
What is the molecular formula of 3-ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole chloride?
The molecular formula of 3-ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole chloride is C21H19ClN4O4S2.
What is the molecular weight of 3-ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole chloride?
The molecular weight of 3-ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole chloride is 490.05 g/mol.
Where can I buy 3-ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole chloride?
You can request a quote for 3-ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl-2-[3-(3-ethyl-6-nitro-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-nitro-1,3-benzothiazole chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.