2-(But-3-YN-1-YL)-5,5-dimethyl-1,2,4-oxadiazolidin-3-one
TL;DR: 2-(But-3-YN-1-YL)-5,5-dimethyl-1,2,4-oxadiazolidin-3-one (CAS 728948-80-9) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-but-3-ynyl-5,5-dimethyl-1,2,4-oxadiazolidin-3-one
Also Known As: 2-(BUT-3-YN-1-YL)-5,5-DIMETHYL-1,2,4-OXADIAZOLIDIN-3-ONE, 2-but-3-ynyl-5,5-dimethyl-1,2,4-oxadiazolidin-3-one
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 0.7026 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 229.70259 |
Chemical Identifiers
| CAS Number | 728948-80-9 |
|---|---|
| SMILES | CC1(NC(=O)N(O1)CCC#C)C |
Product Overview
2-(But-3-YN-1-YL)-5,5-dimethyl-1,2,4-oxadiazolidin-3-one (CAS 728948-80-9), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: 2-but-3-ynyl-5,5-dimethyl-1,2,4-oxadiazolidin-3-one.
Chemical Property Profile of 2-(But-3-YN-1-YL)-5,5-dimethyl-1,2,4-oxadiazolidin-3-one
Property Insights of 2-(But-3-YN-1-YL)-5,5-dimethyl-1,2,4-oxadiazolidin-3-one
The XLogP value of 0.7026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(But-3-YN-1-YL)-5,5-dimethyl-1,2,4-oxadiazolidin-3-one. With a topological polar surface area (TPSA) of 41.57 Ų, 2-(But-3-YN-1-YL)-5,5-dimethyl-1,2,4-oxadiazolidin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(But-3-YN-1-YL)-5,5-dimethyl-1,2,4-oxadiazolidin-3-one has 1 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 2-(But-3-YN-1-YL)-5,5-dimethyl-1,2,4-oxadiazolidin-3-one?
The CAS number of 2-(But-3-YN-1-YL)-5,5-dimethyl-1,2,4-oxadiazolidin-3-one is 728948-80-9.
What is the molecular formula of 2-(But-3-YN-1-YL)-5,5-dimethyl-1,2,4-oxadiazolidin-3-one?
The molecular formula of 2-(But-3-YN-1-YL)-5,5-dimethyl-1,2,4-oxadiazolidin-3-one is C8H12N2O2.
What is the molecular weight of 2-(But-3-YN-1-YL)-5,5-dimethyl-1,2,4-oxadiazolidin-3-one?
The molecular weight of 2-(But-3-YN-1-YL)-5,5-dimethyl-1,2,4-oxadiazolidin-3-one is 168.09 g/mol.
Where can I buy 2-(But-3-YN-1-YL)-5,5-dimethyl-1,2,4-oxadiazolidin-3-one?
You can request a quote for 2-(But-3-YN-1-YL)-5,5-dimethyl-1,2,4-oxadiazolidin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(But-3-YN-1-YL)-5,5-dimethyl-1,2,4-oxadiazolidin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(But-3-YN-1-YL)-5,5-dimethyl-1,2,4-oxadiazolidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.