benzoselenazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt
TL;DR: benzoselenazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt (CAS 29680-54-4) is a chemical compound with molecular formula C11H13NO3SSe and molecular weight 318.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methyl-1,3-benzoselenazol-3-ium-3-yl)propane-1-sulfonate
Also Known As: 3-2-methylbenzoselenazol-3-ium, 3- -2-methylbenzoselenazol-3-ium, Benzoselenazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt, 3-(3-Sulfonatopropyl)-2-methylbenzoselenazol-3-ium, Benzoselenazolium, 2-methyl-3-(3-sulfopropyl)-, hydroxide, inner salt
| Molecular Formula | C11H13NO3SSe |
|---|---|
| Molecular Weight | 318.98 g/mol |
| LogP | 0.43 |
| Topological Polar Surface Area | 69.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.97815 |
| Heavy Atoms | 17 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 29680-54-4 |
|---|---|
| SMILES | CC1=[N+](C2=CC=CC=C2[Se]1)CCCS(=O)(=O)[O-] |
| InChIKey | WCQJTHXOGQICEL-UHFFFAOYSA-N |
Product Overview
benzoselenazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt (CAS 29680-54-4), with molecular formula C11H13NO3SSe and molecular weight 318.98 g/mol. IUPAC: 3-(2-methyl-1,3-benzoselenazol-3-ium-3-yl)propane-1-sulfonate.
Chemical Property Profile of benzoselenazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt
Property Insights of benzoselenazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt
The XLogP value of 0.43 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzoselenazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt. The TPSA of 69.5 Ų falls within the moderate polarity range, balancing permeability and solubility for benzoselenazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt. Following Lipinski's Rule of Five, benzoselenazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt has 0 hydrogen bond donor(s) and 3 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, 2-methyl-3-(3-sulfopropyl)-, inner salt?
The CAS number of benzoselenazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt is 29680-54-4.
What is the molecular formula of benzoselenazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt?
The molecular formula of benzoselenazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt is C11H13NO3SSe.
What is the molecular weight of benzoselenazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt?
The molecular weight of benzoselenazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt is 318.98 g/mol.
Where can I buy benzoselenazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt?
You can request a quote for benzoselenazolium, 2-methyl-3-(3-sulfopropyl)-, 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, 2-methyl-3-(3-sulfopropyl)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for benzoselenazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.