RefChem:566331
TL;DR: RefChem:566331 (CAS 52686-09-6) is a chemical compound with molecular formula C22H23BrN2O2S2 and molecular weight 490.03842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[3-[3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium-2-yl]-2-methylprop-2-enylidene]-1,3-benzothiazol-3-yl]ethanol bromide
Also Known As: Silane,(3-iodo-1-methyl-1-propenyl)trimethyl-,(E), 3,3'-Bis(beta-hydroxyethyl)-9-methyl-2,2'-thiacarbocyanine bromide, 3-(2-Hydroxyethyl)-2-(3-(3-(2-hydroxyethyl)-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl)benzothiazolium bromide, Benzothiazolium, 3-(2-hydroxyethyl)-2-(3-(3-(2-hydroxyethyl)-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-, bromide (1:1), Benzothiazolium, 3-(2-hydroxyethyl)-2-(3-(3-(2-hydroxyethyl)-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl)-, bromide
Technical Specifications
| Molecular Formula | C22H23BrN2O2S2 |
| Molecular Weight | 490.03842 g/mol |
| XLogP | 1.03 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.03842 Da |
| Heavy Atoms | 29 |
| Complexity | 548.0 |
| SMILES | CC(=CC1=[N+](C2=CC=CC=C2S1)CCO)C=C3N(C4=CC=CC=C4S3)CCO.[Br-] |
| InChIKey | HQUBHKNBGQLDPD-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:566331
Property Insights of RefChem:566331
The XLogP value of 1.03 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:566331. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:566331. Following Lipinski's Rule of Five, RefChem:566331 has 2 hydrogen bond donor(s) and 6 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:566331?
The CAS number of RefChem:566331 is 52686-09-6.
What is the molecular formula of RefChem:566331?
The molecular formula of RefChem:566331 is C22H23BrN2O2S2.
What is the molecular weight of RefChem:566331?
The molecular weight of RefChem:566331 is 490.03842 g/mol.
Where can I buy RefChem:566331?
You can request a quote for RefChem:566331 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:566331?
Yes, CoreyChem provides custom synthesis services for RefChem:566331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.