RefChem:872055
TL;DR: RefChem:872055 (CAS 16055-33-7) is a chemical compound with molecular formula C20H19IN2S and molecular weight 446.03137 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-Methyl-1'-ethylthia-2'-cyanine iodide
2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole iodide
Also Known As: SH 395, 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
Technical Specifications
| Molecular Formula | C20H19IN2S |
| Molecular Weight | 446.03137 g/mol |
| XLogP | 1.69 |
| Topological Polar Surface Area (TPSA) | 32.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 446.03137 Da |
| Heavy Atoms | 24 |
| Complexity | 449.0 |
| SMILES | CC[N+]1=C(C=CC2=CC=CC=C21)C=C3N(C4=CC=CC=C4S3)C.[I-] |
| InChIKey | WXXIRKQQOXTYSK-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:872055
Property Insights of RefChem:872055
The XLogP value of 1.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:872055. With a topological polar surface area (TPSA) of 32.4 Ų, RefChem:872055 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:872055 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
What is the CAS number of RefChem:872055?
The CAS number of RefChem:872055 is 16055-33-7.
What is the molecular formula of RefChem:872055?
The molecular formula of RefChem:872055 is C20H19IN2S.
What is the molecular weight of RefChem:872055?
The molecular weight of RefChem:872055 is 446.03137 g/mol.
Where can I buy RefChem:872055?
You can request a quote for RefChem:872055 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:872055?
Yes, CoreyChem provides custom synthesis services for RefChem:872055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.