tert-Butyl cyclohexanecarboperoxoate
TL;DR: tert-Butyl cyclohexanecarboperoxoate (CAS 20396-49-0) is a chemical compound with molecular formula C11H20O3 and molecular weight 200.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl cyclohexanecarboperoxoate
Also Known As: tert-Butyl cyclohexanecarboperoxoate, t-butyl cyclohexanecarboperoxoate, t-Butyl cyclohexaneperoxycarboxylate, tert-Butyl cyclohexanecarboperoxoate #, J1.630.260K
| Molecular Formula | C11H20O3 |
|---|---|
| Molecular Weight | 200.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.14125 |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 20396-49-0 |
|---|---|
| SMILES | CC(C)(C)OOC(=O)C1CCCCC1 |
| InChIKey | HUDYBPSIAHHSIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl cyclohexanecarboperoxoate (CAS 20396-49-0), with molecular formula C11H20O3 and molecular weight 200.14 g/mol. IUPAC: tert-butyl cyclohexanecarboperoxoate.
Chemical Property Profile of tert-Butyl cyclohexanecarboperoxoate
Property Insights of tert-Butyl cyclohexanecarboperoxoate
The XLogP value of 3.2 indicates that tert-Butyl cyclohexanecarboperoxoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, tert-Butyl cyclohexanecarboperoxoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl cyclohexanecarboperoxoate has 0 hydrogen bond donor(s) and 3 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 tert-Butyl cyclohexanecarboperoxoate?
The CAS number of tert-Butyl cyclohexanecarboperoxoate is 20396-49-0.
What is the molecular formula of tert-Butyl cyclohexanecarboperoxoate?
The molecular formula of tert-Butyl cyclohexanecarboperoxoate is C11H20O3.
What is the molecular weight of tert-Butyl cyclohexanecarboperoxoate?
The molecular weight of tert-Butyl cyclohexanecarboperoxoate is 200.14 g/mol.
Where can I buy tert-Butyl cyclohexanecarboperoxoate?
You can request a quote for tert-Butyl cyclohexanecarboperoxoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl cyclohexanecarboperoxoate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl cyclohexanecarboperoxoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.