RefChem:118619
TL;DR: RefChem:118619 (CAS 63815-82-7) is a chemical compound with molecular formula C25H27BrN2O4S2 and molecular weight 562.0596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[5-[3-(2-hydroxyethyl)-6-methoxy-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-6-methoxy-1,3-benzothiazol-3-yl]ethanol bromide
Also Known As: Diaethylamino-cyanphosphinsaeure-aethylester, Benzothiazolium, 3-(2-hydroxyethyl)-2-(5-(3-(2-hydroxyethyl)-6-methoxy-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-6-methoxy-, bromide, Benzothiazolium, 3-(2-hydroxyethyl)-2-(5-(3-(2-hydroxy-ethyl)-6-methoxy-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-6-methoxy-, bromide, Benzothiazolium, 3-(2-hydroxyethyl)-2-(5-(3-(2-hydroxyethyl)-6-methoxy-2(3H)-benzothiazolylidene)-1,3-pentadien-1-yl)-6-methoxy-, bromide (1:1), Benzothiazolium, 3-(2-hydroxyethyl)-2-[5-[3-(2-hydroxyethyl)-6-methoxy-2(3H)-benzothiazolylidene]-1,3-pentadien-1-yl]-6-methoxy-, bromide (1:1)
Technical Specifications
| Molecular Formula | C25H27BrN2O4S2 |
| Molecular Weight | 562.0596 g/mol |
| XLogP | 1.22 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 562.0596 Da |
| Heavy Atoms | 34 |
| Complexity | 662.0 |
| SMILES | COC1=CC2=C(C=C1)N(C(=CC=CC=CC3=[N+](C4=C(S3)C=C(C=C4)OC)CCO)S2)CCO.[Br-] |
| InChIKey | YKWBMACHHTUCPG-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:118619
Property Insights of RefChem:118619
The XLogP value of 1.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118619. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118619. Following Lipinski's Rule of Five, RefChem:118619 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:118619?
The CAS number of RefChem:118619 is 63815-82-7.
What is the molecular formula of RefChem:118619?
The molecular formula of RefChem:118619 is C25H27BrN2O4S2.
What is the molecular weight of RefChem:118619?
The molecular weight of RefChem:118619 is 562.0596 g/mol.
Where can I buy RefChem:118619?
You can request a quote for RefChem:118619 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:118619?
Yes, CoreyChem provides custom synthesis services for RefChem:118619 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.