benzothiazolium, 6-methoxy-2,5-dimethyl-3-(4-sulfobutyl)-, inner salt
TL;DR: benzothiazolium, 6-methoxy-2,5-dimethyl-3-(4-sulfobutyl)-, inner salt (CAS 63815-65-6) is a chemical compound with molecular formula C14H19NO4S2 and molecular weight 329.07556 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonate
Also Known As: Benzothiazolium, 6-methoxy-2,5-dimethyl-3-(4-sulfobutyl)-, inner salt, 4-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonate, 6-Methoxy-2,5-dimethyl-3-(4-sulfonatobutyl)benzothiazolium, Benzothiazolium, 6-methoxy-2,5-dimethyl-3-(4-sulfobutyl)-, hydroxide, inner salt, 6-METHOXY-2,5-DIMETHYL-3-(4-SULFONATOBUTYL)-1,3-BENZOTHIAZOL-3-IUM
Technical Specifications
| Molecular Formula | C14H19NO4S2 |
| Molecular Weight | 329.07556 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.07556 Da |
| Heavy Atoms | 21 |
| Complexity | 423.0 |
| SMILES | CC1=CC2=C(C=C1OC)SC(=[N+]2CCCCS(=O)(=O)[O-])C |
| InChIKey | UMDWGPTXURTFPZ-UHFFFAOYSA-N |
Chemical Property Profile of benzothiazolium, 6-methoxy-2,5-dimethyl-3-(4-sulfobutyl)-, inner salt
Property Insights of benzothiazolium, 6-methoxy-2,5-dimethyl-3-(4-sulfobutyl)-, inner salt
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzothiazolium, 6-methoxy-2,5-dimethyl-3-(4-sulfobutyl)-, inner salt. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for benzothiazolium, 6-methoxy-2,5-dimethyl-3-(4-sulfobutyl)-, inner salt. Following Lipinski's Rule of Five, benzothiazolium, 6-methoxy-2,5-dimethyl-3-(4-sulfobutyl)-, inner salt has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of benzothiazolium, 6-methoxy-2,5-dimethyl-3-(4-sulfobutyl)-, inner salt?
The CAS number of benzothiazolium, 6-methoxy-2,5-dimethyl-3-(4-sulfobutyl)-, inner salt is 63815-65-6.
What is the molecular formula of benzothiazolium, 6-methoxy-2,5-dimethyl-3-(4-sulfobutyl)-, inner salt?
The molecular formula of benzothiazolium, 6-methoxy-2,5-dimethyl-3-(4-sulfobutyl)-, inner salt is C14H19NO4S2.
What is the molecular weight of benzothiazolium, 6-methoxy-2,5-dimethyl-3-(4-sulfobutyl)-, inner salt?
The molecular weight of benzothiazolium, 6-methoxy-2,5-dimethyl-3-(4-sulfobutyl)-, inner salt is 329.07556 g/mol.
Where can I buy benzothiazolium, 6-methoxy-2,5-dimethyl-3-(4-sulfobutyl)-, inner salt?
You can request a quote for benzothiazolium, 6-methoxy-2,5-dimethyl-3-(4-sulfobutyl)-, inner salt directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for benzothiazolium, 6-methoxy-2,5-dimethyl-3-(4-sulfobutyl)-, inner salt?
Yes, CoreyChem provides custom synthesis services for benzothiazolium, 6-methoxy-2,5-dimethyl-3-(4-sulfobutyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.