2,5,6-Trimethylbenzoselenazole
TL;DR: 2,5,6-Trimethylbenzoselenazole (CAS 2946-20-5) is a chemical compound with molecular formula C10H11NSe and molecular weight 225.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,6-trimethyl-1,3-benzoselenazole
Also Known As: 2,5,6-Trimethylbenzoselenazole, 2,5,6-trimethyl-1,3-benzoselenazole, benzoselenazole, 2,5,6-trimethyl-, 1-Bromo-3,4,5-trimethoxybenzene, 2, 5, 6- Trimethylbenzoselenazole
| Molecular Formula | C10H11NSe |
|---|---|
| Molecular Weight | 225.01 g/mol |
| LogP | 2.22 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 225.00568 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 2946-20-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)[Se]C(=N2)C |
| InChIKey | LCZZKJPVZHCFMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5,6-Trimethylbenzoselenazole (CAS 2946-20-5), with molecular formula C10H11NSe and molecular weight 225.01 g/mol. IUPAC: 2,5,6-trimethyl-1,3-benzoselenazole.
Chemical Property Profile of 2,5,6-Trimethylbenzoselenazole
Property Insights of 2,5,6-Trimethylbenzoselenazole
The XLogP value of 2.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5,6-Trimethylbenzoselenazole. With a topological polar surface area (TPSA) of 12.9 Ų, 2,5,6-Trimethylbenzoselenazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5,6-Trimethylbenzoselenazole has 0 hydrogen bond donor(s) and 1 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 2,5,6-Trimethylbenzoselenazole?
The CAS number of 2,5,6-Trimethylbenzoselenazole is 2946-20-5.
What is the molecular formula of 2,5,6-Trimethylbenzoselenazole?
The molecular formula of 2,5,6-Trimethylbenzoselenazole is C10H11NSe.
What is the molecular weight of 2,5,6-Trimethylbenzoselenazole?
The molecular weight of 2,5,6-Trimethylbenzoselenazole is 225.01 g/mol.
Where can I buy 2,5,6-Trimethylbenzoselenazole?
You can request a quote for 2,5,6-Trimethylbenzoselenazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5,6-Trimethylbenzoselenazole?
Yes, KEHONG BIO provides custom synthesis services for 2,5,6-Trimethylbenzoselenazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.