RefChem:178283
TL;DR: RefChem:178283 (CAS 55479-14-6) is a chemical compound with molecular formula C27H26N2O3S2 and molecular weight 490.1385 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole;4-methylbenzenesulfonate
Also Known As: 1-Ethyl-2-((3-methyl-2(3H)-benzothiazolylidene)methyl)quinolinium 4-methylbenzenesulfonate, 1-ethyl-2-[methyl]quinoliniumtoluene-p-sulphonate, 1-Ethyl-2-[(3-methyl-2(3H)-benzothiazolylidene)methyl]quinolinium 4-methylbenzenesulfonate, Quinolinium, 1-ethyl-2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-, 4-methylbenzenesulfonate (1:1), Quinolinium, 1-ethyl-2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
Technical Specifications
| Molecular Formula | C27H26N2O3S2 |
| Molecular Weight | 490.1385 g/mol |
| XLogP | 5.59 |
| Topological Polar Surface Area (TPSA) | 98.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 490.1385 Da |
| Heavy Atoms | 34 |
| Complexity | 642.0 |
| SMILES | CC[N+]1=C(C=CC2=CC=CC=C21)C=C3N(C4=CC=CC=C4S3)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | PHQCMRONRWXIRN-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:178283
Property Insights of RefChem:178283
The XLogP value of 5.59 indicates that RefChem:178283 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:178283. Following Lipinski's Rule of Five, RefChem:178283 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:178283?
The CAS number of RefChem:178283 is 55479-14-6.
What is the molecular formula of RefChem:178283?
The molecular formula of RefChem:178283 is C27H26N2O3S2.
What is the molecular weight of RefChem:178283?
The molecular weight of RefChem:178283 is 490.1385 g/mol.
Where can I buy RefChem:178283?
You can request a quote for RefChem:178283 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:178283?
Yes, CoreyChem provides custom synthesis services for RefChem:178283 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.