2-tert-Butyl-1,2-benzoselenazol-3(2H)-one
TL;DR: 2-tert-Butyl-1,2-benzoselenazol-3(2H)-one (CAS 106663-99-4) is a chemical compound with molecular formula C11H13NOSe and molecular weight 255.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1,2-benzoselenazol-3-one
Also Known As: US8592468, EbSe4, 2-tert-butyl-1,2-benzoselenazol-3-one, 2-tert-Butyl-1,2-benzoselenazol-3(2H)-one, 2-tert-Butyl-1,2-benzisoselenazol-3(2H)-one, 2-tert-butyl-2,3-dihydro-1,2-benzoselenazol-3-one
| Molecular Formula | C11H13NOSe |
|---|---|
| Molecular Weight | 255.02 g/mol |
| LogP | 1.8135 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.01624 |
| Heavy Atoms | 14 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 106663-99-4 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)C2=CC=CC=C2[Se]1 |
| InChIKey | ZKCKJYOYGUUURF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-tert-Butyl-1,2-benzoselenazol-3(2H)-one (CAS 106663-99-4), with molecular formula C11H13NOSe and molecular weight 255.02 g/mol. IUPAC: 2-tert-butyl-1,2-benzoselenazol-3-one.
Chemical Property Profile of 2-tert-Butyl-1,2-benzoselenazol-3(2H)-one
Property Insights of 2-tert-Butyl-1,2-benzoselenazol-3(2H)-one
The XLogP value of 1.8135 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-tert-Butyl-1,2-benzoselenazol-3(2H)-one. With a topological polar surface area (TPSA) of 20.3 Ų, 2-tert-Butyl-1,2-benzoselenazol-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-Butyl-1,2-benzoselenazol-3(2H)-one 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-tert-Butyl-1,2-benzoselenazol-3(2H)-one?
The CAS number of 2-tert-Butyl-1,2-benzoselenazol-3(2H)-one is 106663-99-4.
What is the molecular formula of 2-tert-Butyl-1,2-benzoselenazol-3(2H)-one?
The molecular formula of 2-tert-Butyl-1,2-benzoselenazol-3(2H)-one is C11H13NOSe.
What is the molecular weight of 2-tert-Butyl-1,2-benzoselenazol-3(2H)-one?
The molecular weight of 2-tert-Butyl-1,2-benzoselenazol-3(2H)-one is 255.02 g/mol.
Where can I buy 2-tert-Butyl-1,2-benzoselenazol-3(2H)-one?
You can request a quote for 2-tert-Butyl-1,2-benzoselenazol-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-Butyl-1,2-benzoselenazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butyl-1,2-benzoselenazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.