RefChem:118669
TL;DR: RefChem:118669 (CAS 18426-55-6) is a chemical compound with molecular formula C25H26Cl2N2O3S3 and molecular weight 568.0483 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[5-chloro-2-[2-[(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate
4-[5-chloro-2-[2-[(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate
Also Known As: 4-[5-chloro-2-[2-[(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate, 5-Chloro-2-(2-((5-chloro-3-ethyl-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-3-(3-sulphonatobutyl)benzothiazolium, Benzothiazolium, 5-chloro-2-(2-((5-chloro-3-ethyl-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-3-(3-sulfobutyl)-, inner salt, Benzothiazolium, 5-chloro-2-(2-((5-chloro-3-ethyl-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-3-(3-sulfobutyl)-, inner salt, Benzothiazolium, 5-chloro-2-[2-[(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-3-(3-sulfobutyl)-, inner salt
Technical Specifications
| Molecular Formula | C25H26Cl2N2O3S3 |
| Molecular Weight | 568.0483 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 568.0483 Da |
| Heavy Atoms | 35 |
| Complexity | 897.0 |
| SMILES | CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CCC(C)S(=O)(=O)[O-])C=C3N(C4=C(S3)C=CC(=C4)Cl)CC |
| InChIKey | JUASOEGJZZHZCQ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:118669
Property Insights of RefChem:118669
The XLogP value of 7.9 indicates that RefChem:118669 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118669. Following Lipinski's Rule of Five, RefChem:118669 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:118669?
The CAS number of RefChem:118669 is 18426-55-6.
What is the molecular formula of RefChem:118669?
The molecular formula of RefChem:118669 is C25H26Cl2N2O3S3.
What is the molecular weight of RefChem:118669?
The molecular weight of RefChem:118669 is 568.0483 g/mol.
Where can I buy RefChem:118669?
You can request a quote for RefChem:118669 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:118669?
Yes, CoreyChem provides custom synthesis services for RefChem:118669 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.