3-Methyl-1'-ethylthia-2'-cyanine iodide
TL;DR: 3-Methyl-1'-ethylthia-2'-cyanine iodide (CAS 16055-33-7) is a chemical compound with molecular formula C20H19IN2S and molecular weight 446.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-Methyl-1'-ethylthia-2'-cyanine iodide
2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole iodide
Also Known As: 3-Methyl-1'-ethylthia-2'-cyanine iodide, 1-Ethyl-2-((3-methyl-2(3H)-benzothiazolylidene)methyl)quinolinium iodide, 1-Ethyl-2-((3-methyl-3H-benzothiazol-2-ylidene)methyl)quinolinium iodide, Quinolinium, 1-ethyl-2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-, iodide, Quinolinium, 1-ethyl-2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-, iodide (1:1)
| Molecular Formula | C20H19IN2S |
|---|---|
| Molecular Weight | 446.03 g/mol |
| LogP | 1.69 |
| Topological Polar Surface Area | 32.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 446.03137 |
| Heavy Atoms | 24 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 16055-33-7 |
|---|---|
| SMILES | CC[N+]1=C(C=CC2=CC=CC=C21)C=C3N(C4=CC=CC=C4S3)C.[I-] |
| InChIKey | WXXIRKQQOXTYSK-UHFFFAOYSA-M |
Product Overview
3-Methyl-1'-ethylthia-2'-cyanine iodide (CAS 16055-33-7), with molecular formula C20H19IN2S and molecular weight 446.03 g/mol. IUPAC: 2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole iodide.
Chemical Property Profile of 3-Methyl-1'-ethylthia-2'-cyanine iodide
Property Insights of 3-Methyl-1'-ethylthia-2'-cyanine iodide
The XLogP value of 1.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1'-ethylthia-2'-cyanine iodide. With a topological polar surface area (TPSA) of 32.4 Ų, 3-Methyl-1'-ethylthia-2'-cyanine iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1'-ethylthia-2'-cyanine iodide has 0 hydrogen bond donor(s) and 3 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-Methyl-1'-ethylthia-2'-cyanine iodide?
The CAS number of 3-Methyl-1'-ethylthia-2'-cyanine iodide is 16055-33-7.
What is the molecular formula of 3-Methyl-1'-ethylthia-2'-cyanine iodide?
The molecular formula of 3-Methyl-1'-ethylthia-2'-cyanine iodide is C20H19IN2S.
What is the molecular weight of 3-Methyl-1'-ethylthia-2'-cyanine iodide?
The molecular weight of 3-Methyl-1'-ethylthia-2'-cyanine iodide is 446.03 g/mol.
Where can I buy 3-Methyl-1'-ethylthia-2'-cyanine iodide?
You can request a quote for 3-Methyl-1'-ethylthia-2'-cyanine iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1'-ethylthia-2'-cyanine iodide?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1'-ethylthia-2'-cyanine iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.