4-tert-Butyl-1,2,4-triazolidine-3,5-dione
TL;DR: 4-tert-Butyl-1,2,4-triazolidine-3,5-dione (CAS 35403-67-9) is a chemical compound with molecular formula C6H11N3O2 and molecular weight 157.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-1,2,4-triazolidine-3,5-dione
Also Known As: 4-t-Butylurazole, 4-tert-Butylurazole, 4-tert-Butyl-1,2,4-triazolidine-3,5-dione, EINECS 252-548-7, 1,2,4-Triazolidine-3,5-dione, 4-(1,1-dimethylethyl)-
| Molecular Formula | C6H11N3O2 |
|---|---|
| Molecular Weight | 157.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.08513 |
| Heavy Atoms | 11 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 35403-67-9 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)NNC1=O |
| InChIKey | OYNMWNWYHCJZHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-tert-Butyl-1,2,4-triazolidine-3,5-dione (CAS 35403-67-9), with molecular formula C6H11N3O2 and molecular weight 157.09 g/mol. IUPAC: 4-tert-butyl-1,2,4-triazolidine-3,5-dione.
Chemical Property Profile of 4-tert-Butyl-1,2,4-triazolidine-3,5-dione
Property Insights of 4-tert-Butyl-1,2,4-triazolidine-3,5-dione
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-Butyl-1,2,4-triazolidine-3,5-dione. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-Butyl-1,2,4-triazolidine-3,5-dione. Following Lipinski's Rule of Five, 4-tert-Butyl-1,2,4-triazolidine-3,5-dione has 2 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 4-tert-Butyl-1,2,4-triazolidine-3,5-dione?
The CAS number of 4-tert-Butyl-1,2,4-triazolidine-3,5-dione is 35403-67-9.
What is the molecular formula of 4-tert-Butyl-1,2,4-triazolidine-3,5-dione?
The molecular formula of 4-tert-Butyl-1,2,4-triazolidine-3,5-dione is C6H11N3O2.
What is the molecular weight of 4-tert-Butyl-1,2,4-triazolidine-3,5-dione?
The molecular weight of 4-tert-Butyl-1,2,4-triazolidine-3,5-dione is 157.09 g/mol.
Where can I buy 4-tert-Butyl-1,2,4-triazolidine-3,5-dione?
You can request a quote for 4-tert-Butyl-1,2,4-triazolidine-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butyl-1,2,4-triazolidine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyl-1,2,4-triazolidine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.