1,2,3-Selenadiazole, 4-(1-methylethyl)-
TL;DR: 1,2,3-Selenadiazole, 4-(1-methylethyl)- (CAS 40482-58-4) is a chemical compound with molecular formula C5H8N2Se and molecular weight 175.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propan-2-ylselenadiazole
Also Known As: 4-isopropyl-1,2,3-selenadiazole, 4-propan-2-ylselenadiazole, 1,2,3-selenadiazole, 4-(1-methylethyl)-, 4-t-butyl-1,2,3-selenadiazole, 4-(propan-2-yl)-1,2,3-selenadiazole
| Molecular Formula | C5H8N2Se |
|---|---|
| Molecular Weight | 175.99 g/mol |
| LogP | 0.657 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.98528 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 40482-58-4 |
|---|---|
| SMILES | CC(C)C1=C[Se]N=N1 |
| InChIKey | QZFLSMQVWDTNJS-UHFFFAOYSA-N |
Product Overview
1,2,3-Selenadiazole, 4-(1-methylethyl)- (CAS 40482-58-4), with molecular formula C5H8N2Se and molecular weight 175.99 g/mol. IUPAC: 4-propan-2-ylselenadiazole.
Chemical Property Profile of 1,2,3-Selenadiazole, 4-(1-methylethyl)-
Property Insights of 1,2,3-Selenadiazole, 4-(1-methylethyl)-
The XLogP value of 0.657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Selenadiazole, 4-(1-methylethyl)-. With a topological polar surface area (TPSA) of 25.8 Ų, 1,2,3-Selenadiazole, 4-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Selenadiazole, 4-(1-methylethyl)- has 0 hydrogen bond donor(s) and 2 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 1,2,3-Selenadiazole, 4-(1-methylethyl)-?
The CAS number of 1,2,3-Selenadiazole, 4-(1-methylethyl)- is 40482-58-4.
What is the molecular formula of 1,2,3-Selenadiazole, 4-(1-methylethyl)-?
The molecular formula of 1,2,3-Selenadiazole, 4-(1-methylethyl)- is C5H8N2Se.
What is the molecular weight of 1,2,3-Selenadiazole, 4-(1-methylethyl)-?
The molecular weight of 1,2,3-Selenadiazole, 4-(1-methylethyl)- is 175.99 g/mol.
Where can I buy 1,2,3-Selenadiazole, 4-(1-methylethyl)-?
You can request a quote for 1,2,3-Selenadiazole, 4-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Selenadiazole, 4-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Selenadiazole, 4-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.