![5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one structure](/static/products/802/80212-16-4.png)
5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one
TL;DR: 5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one (CAS 80212-16-4) is a chemical compound with molecular formula C16H24N2O2 and molecular weight 276.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one
Also Known As: 5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one, 5,7a-di-tert-butyl-3a,7a-dihydrospiro[indazole-6,2'-oxiran]-7(3H)-one, 5,7a-di-tert-butyl-3,3a-dihydrospiro[indazole-6,2'-oxiran]-7(7aH)-one, 5,7a-Bis(1,1-dimethylethyl)-3a,7a-dihydrospiro(6H-indazole-6,2'-oxiran)-7(3H)-one, 5,7a-Bis(1,1-dimethylethyl)-3a,7a-dihydrospiro[6H-indazole-6,2'-oxiran]-7(3H)-one
| Molecular Formula | C16H24N2O2 |
|---|---|
| Molecular Weight | 276.18 g/mol |
| LogP | 3.1775 |
| Topological Polar Surface Area | 54.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.18378 |
| Heavy Atoms | 20 |
| Complexity | 529.6606 |
Chemical Identifiers
| CAS Number | 80212-16-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC2CN=NC2(C(=O)C13CO3)C(C)(C)C |
Product Overview
5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one (CAS 80212-16-4), with molecular formula C16H24N2O2 and molecular weight 276.18 g/mol. IUPAC: 5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one.
Chemical Property Profile of 5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one
Property Insights of 5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one
The XLogP value of 3.1775 indicates that 5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.32 Ų, 5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one has 0 hydrogen bond donor(s) and 4 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 5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one?
The CAS number of 5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one is 80212-16-4.
What is the molecular formula of 5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one?
The molecular formula of 5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one is C16H24N2O2.
What is the molecular weight of 5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one?
The molecular weight of 5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one is 276.18 g/mol.
Where can I buy 5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one?
You can request a quote for 5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one?
Yes, KEHONG BIO provides custom synthesis services for 5,7a-ditert-butylspiro[3,3a-dihydroindazole-6,2'-oxirane]-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.