benzoxazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt
TL;DR: benzoxazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt (CAS 54443-97-9) is a chemical compound with molecular formula C11H13NO4S and molecular weight 255.05653 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonate
Also Known As: gamma-Glutamyldopamine, gamma-Glutamyl dopamide, gamma-Glutamyl dopamine, L-gamma-Glutamyldopamine, Benzoxazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt
Technical Specifications
| Molecular Formula | C11H13NO4S |
| Molecular Weight | 255.05653 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 82.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.05653 Da |
| Heavy Atoms | 17 |
| Complexity | 338.0 |
| SMILES | CC1=[N+](C2=CC=CC=C2O1)CCCS(=O)(=O)[O-] |
| InChIKey | VGMUYGXTYXTNNL-UHFFFAOYSA-N |
Chemical Property Profile of benzoxazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt
Property Insights of benzoxazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzoxazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for benzoxazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt. Following Lipinski's Rule of Five, benzoxazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of benzoxazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt?
The CAS number of benzoxazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt is 54443-97-9.
What is the molecular formula of benzoxazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt?
The molecular formula of benzoxazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt is C11H13NO4S.
What is the molecular weight of benzoxazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt?
The molecular weight of benzoxazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt is 255.05653 g/mol.
Where can I buy benzoxazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt?
You can request a quote for benzoxazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for benzoxazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt?
Yes, CoreyChem provides custom synthesis services for benzoxazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.