![3-ethyl-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide structure](/static/products/5429/54290-17-4.webp)
3-ethyl-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide
TL;DR: 3-ethyl-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide (CAS 54290-17-4) is a chemical compound with molecular formula C19H19IN4S2 and molecular weight 494.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide
Also Known As: 1-(3-Ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]diazen-1-ium iodide
| Molecular Formula | C19H19IN4S2 |
|---|---|
| Molecular Weight | 494.01 g/mol |
| LogP | 1.1836 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.00958 |
| Heavy Atoms | 26 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 54290-17-4 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=NN=CC3=[N+](C4=CC=CC=C4S3)CC.[I-] |
| InChIKey | XDXSMGXAGCDEAS-UHFFFAOYSA-M |
Product Overview
3-ethyl-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide (CAS 54290-17-4), with molecular formula C19H19IN4S2 and molecular weight 494.01 g/mol. IUPAC: 3-ethyl-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide.
Chemical Property Profile of 3-ethyl-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide
Property Insights of 3-ethyl-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide
The XLogP value of 1.1836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-ethyl-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-ethyl-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide. Following Lipinski's Rule of Five, 3-ethyl-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide has 0 hydrogen bond donor(s) and 5 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-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide?
The CAS number of 3-ethyl-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide is 54290-17-4.
What is the molecular formula of 3-ethyl-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide?
The molecular formula of 3-ethyl-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide is C19H19IN4S2.
What is the molecular weight of 3-ethyl-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide?
The molecular weight of 3-ethyl-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide is 494.01 g/mol.
Where can I buy 3-ethyl-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide?
You can request a quote for 3-ethyl-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethyl-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.