Benzoselenazolium, 3-ethyl-2-methyl-, ethyl sulfate (1:1)
TL;DR: Benzoselenazolium, 3-ethyl-2-methyl-, ethyl sulfate (1:1) (CAS 66142-22-1) is a chemical compound with molecular formula C12H17NO4SSe and molecular weight 351.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-methyl-1,3-benzoselenazol-3-ium;ethyl sulfate
Also Known As: 3-Ethyl-2-methylbenzoselenazolium ethosulfate, Ethyl 3-ethyl-2-methylbenzoselenazolium sulphate, 2-(4-Bromo-2,5-dimethoxyphenyl)ethanamine, 3-ethyl-2-methyl-1,3-benzoselenazol-3-ium ethyl sulfate, Benzoselenazolium, 3-ethyl-2-methyl-, ethyl sulfate
| Molecular Formula | C12H17NO4SSe |
|---|---|
| Molecular Weight | 351.00 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.00436 |
| Heavy Atoms | 19 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 66142-22-1 |
|---|---|
| SMILES | CC[N+]1=C([Se]C2=CC=CC=C21)C.CCOS(=O)(=O)[O-] |
| InChIKey | NQTXUORNNRFCKQ-UHFFFAOYSA-M |
Product Overview
Benzoselenazolium, 3-ethyl-2-methyl-, ethyl sulfate (1:1) (CAS 66142-22-1), with molecular formula C12H17NO4SSe and molecular weight 351.00 g/mol. IUPAC: 3-ethyl-2-methyl-1,3-benzoselenazol-3-ium;ethyl sulfate.
Chemical Property Profile of Benzoselenazolium, 3-ethyl-2-methyl-, ethyl sulfate (1:1)
Property Insights of Benzoselenazolium, 3-ethyl-2-methyl-, ethyl sulfate (1:1)
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoselenazolium, 3-ethyl-2-methyl-, ethyl sulfate (1:1). The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoselenazolium, 3-ethyl-2-methyl-, ethyl sulfate (1:1). Following Lipinski's Rule of Five, Benzoselenazolium, 3-ethyl-2-methyl-, ethyl sulfate (1:1) 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, 3-ethyl-2-methyl-, ethyl sulfate (1:1)?
The CAS number of Benzoselenazolium, 3-ethyl-2-methyl-, ethyl sulfate (1:1) is 66142-22-1.
What is the molecular formula of Benzoselenazolium, 3-ethyl-2-methyl-, ethyl sulfate (1:1)?
The molecular formula of Benzoselenazolium, 3-ethyl-2-methyl-, ethyl sulfate (1:1) is C12H17NO4SSe.
What is the molecular weight of Benzoselenazolium, 3-ethyl-2-methyl-, ethyl sulfate (1:1)?
The molecular weight of Benzoselenazolium, 3-ethyl-2-methyl-, ethyl sulfate (1:1) is 351.00 g/mol.
Where can I buy Benzoselenazolium, 3-ethyl-2-methyl-, ethyl sulfate (1:1)?
You can request a quote for Benzoselenazolium, 3-ethyl-2-methyl-, ethyl sulfate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoselenazolium, 3-ethyl-2-methyl-, ethyl sulfate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzoselenazolium, 3-ethyl-2-methyl-, ethyl sulfate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.