benzoselenazolium, 5-methoxy-2-methyl-3-(4-sulfobutyl)-, inner salt
TL;DR: benzoselenazolium, 5-methoxy-2-methyl-3-(4-sulfobutyl)-, inner salt (CAS 63815-76-9) is a chemical compound with molecular formula C13H17NO4SSe and molecular weight 363.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-methoxy-2-methyl-1,3-benzoselenazol-3-ium-3-yl)butane-1-sulfonate
Also Known As: DYJ-Se-HS-1, Benzoselenazolium, 5-methoxy-2-methyl-3-(4-sulfobutyl)-, inner salt, Benzoselenazolium, 5-methoxy-2-methyl-3-(4-sulfobutyl)-, hydroxide, inner salt, 4-(5-methoxy-2-methyl-1,3-benzoselenazol-3-ium-3-yl)butane-1-sulfonate, 5-Methoxy-2-methyl-3-(4-sulfonatobutyl)benzoselenazol-3-ium
| Molecular Formula | C13H17NO4SSe |
|---|---|
| Molecular Weight | 363.00 g/mol |
| LogP | 0.83 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.00436 |
| Heavy Atoms | 20 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 63815-76-9 |
|---|---|
| SMILES | CC1=[N+](C2=C([Se]1)C=CC(=C2)OC)CCCCS(=O)(=O)[O-] |
| InChIKey | YTFZCARIEOKVGU-UHFFFAOYSA-N |
Product Overview
benzoselenazolium, 5-methoxy-2-methyl-3-(4-sulfobutyl)-, inner salt (CAS 63815-76-9), with molecular formula C13H17NO4SSe and molecular weight 363.00 g/mol. IUPAC: 4-(5-methoxy-2-methyl-1,3-benzoselenazol-3-ium-3-yl)butane-1-sulfonate.
Chemical Property Profile of benzoselenazolium, 5-methoxy-2-methyl-3-(4-sulfobutyl)-, inner salt
Property Insights of benzoselenazolium, 5-methoxy-2-methyl-3-(4-sulfobutyl)-, inner salt
The XLogP value of 0.83 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzoselenazolium, 5-methoxy-2-methyl-3-(4-sulfobutyl)-, inner salt. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for benzoselenazolium, 5-methoxy-2-methyl-3-(4-sulfobutyl)-, inner salt. Following Lipinski's Rule of Five, benzoselenazolium, 5-methoxy-2-methyl-3-(4-sulfobutyl)-, 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
Frequently Asked Questions
What is the CAS number of benzoselenazolium, 5-methoxy-2-methyl-3-(4-sulfobutyl)-, inner salt?
The CAS number of benzoselenazolium, 5-methoxy-2-methyl-3-(4-sulfobutyl)-, inner salt is 63815-76-9.
What is the molecular formula of benzoselenazolium, 5-methoxy-2-methyl-3-(4-sulfobutyl)-, inner salt?
The molecular formula of benzoselenazolium, 5-methoxy-2-methyl-3-(4-sulfobutyl)-, inner salt is C13H17NO4SSe.
What is the molecular weight of benzoselenazolium, 5-methoxy-2-methyl-3-(4-sulfobutyl)-, inner salt?
The molecular weight of benzoselenazolium, 5-methoxy-2-methyl-3-(4-sulfobutyl)-, inner salt is 363.00 g/mol.
Where can I buy benzoselenazolium, 5-methoxy-2-methyl-3-(4-sulfobutyl)-, inner salt?
You can request a quote for benzoselenazolium, 5-methoxy-2-methyl-3-(4-sulfobutyl)-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzoselenazolium, 5-methoxy-2-methyl-3-(4-sulfobutyl)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for benzoselenazolium, 5-methoxy-2-methyl-3-(4-sulfobutyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.