叔戊基过氧化氢
TL;DR: 叔戊基过氧化氢 (CAS 3425-61-4) is a chemical compound with molecular formula C5H12O2 and molecular weight 104.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
叔戊基过氧化氢
2-hydroperoxy-2-methylbutane
Also Known As: tert-Amyl hydroperoxide, t-Amyl hydroperoxide, Trigonox TAHP, tert-Amylhydroperoxide, tert-Pentyl hydroperoxide
| Molecular Formula | C5H12O2 |
|---|---|
| Molecular Weight | 104.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.08373 |
| Heavy Atoms | 7 |
| Complexity | 50.0 |
Chemical Identifiers
| CAS Number | 3425-61-4 |
|---|---|
| SMILES | CCC(C)(C)OO |
| InChIKey | XRXANEMIFVRKLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
叔戊基过氧化氢 (CAS 3425-61-4), with molecular formula C5H12O2 and molecular weight 104.08 g/mol. IUPAC: 2-hydroperoxy-2-methylbutane.
Chemical Property Profile of 叔戊基过氧化氢
Property Insights of 叔戊基过氧化氢
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 叔戊基过氧化氢. With a topological polar surface area (TPSA) of 29.5 Ų, 叔戊基过氧化氢 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 叔戊基过氧化氢 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 叔戊基过氧化氢?
The CAS number of 叔戊基过氧化氢 is 3425-61-4.
What is the molecular formula of 叔戊基过氧化氢?
The molecular formula of 叔戊基过氧化氢 is C5H12O2.
What is the molecular weight of 叔戊基过氧化氢?
The molecular weight of 叔戊基过氧化氢 is 104.08 g/mol.
Where can I buy 叔戊基过氧化氢?
You can request a quote for 叔戊基过氧化氢 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 叔戊基过氧化氢?
Yes, KEHONG BIO provides custom synthesis services for 叔戊基过氧化氢 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.