RefChem:566366
TL;DR: RefChem:566366 (CAS 63815-66-7) is a chemical compound with molecular formula C14H19ClNNaO4S2 and molecular weight 387.03418 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium;4-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonate;chloride
Also Known As: Benzothiazolium, 6-methoxy-2,5-dimethyl-3-(4-sulfobutyl)-, chloride, sodium salt, Benzothiazolium, 6-methoxy-2,5-dimethyl-3-(4-sulfobutyl)-, chloride, sodium salt (1:1:1), sodium 4-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonate chloride, 4-(6-Methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonate-, chloride, sodium salt (1:1:1)
Technical Specifications
| Molecular Formula | C14H19ClNNaO4S2 |
| Molecular Weight | 387.03418 g/mol |
| XLogP | -3.85 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.03418 Da |
| Heavy Atoms | 23 |
| Complexity | 423.0 |
| SMILES | CC1=CC2=C(C=C1OC)SC(=[N+]2CCCCS(=O)(=O)[O-])C.[Na+].[Cl-] |
| InChIKey | GKPRBCULYWEKJH-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:566366
Property Insights of RefChem:566366
The XLogP value of -3.85 indicates that RefChem:566366 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:566366. Following Lipinski's Rule of Five, RefChem:566366 has 0 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:566366?
The CAS number of RefChem:566366 is 63815-66-7.
What is the molecular formula of RefChem:566366?
The molecular formula of RefChem:566366 is C14H19ClNNaO4S2.
What is the molecular weight of RefChem:566366?
The molecular weight of RefChem:566366 is 387.03418 g/mol.
Where can I buy RefChem:566366?
You can request a quote for RefChem:566366 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:566366?
Yes, CoreyChem provides custom synthesis services for RefChem:566366 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.