5-Methyl-5-(tert-pentylperoxy)-2-phenylhex-3-yn-2-ol
TL;DR: 5-Methyl-5-(tert-pentylperoxy)-2-phenylhex-3-yn-2-ol (CAS 157696-45-2) is a chemical compound with molecular formula C18H26O3 and molecular weight 290.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-5-(2-methylbutan-2-ylperoxy)-2-phenylhex-3-yn-2-ol
Also Known As: 5-methyl-5-(tert-pentylperoxy)-2-phenylhex-3-yn-2-ol, 5-methyl-5-(2-methylbutan-2-ylperoxy)-2-phenylhex-3-yn-2-ol, 5-methyl-5-(2-methylbutan-2-ylperoxy)-2-phenyl-hex-3-yn-2-ol, 5-METHYL-5-[(2-METHYLBUTAN-2-YL)PEROXY]-2-PHENYLHEX-3-YN-2-OL
| Molecular Formula | C18H26O3 |
|---|---|
| Molecular Weight | 290.19 g/mol |
| LogP | 3.8129 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.1882 |
| Heavy Atoms | 21 |
| Complexity | 504.26013 |
Chemical Identifiers
| CAS Number | 157696-45-2 |
|---|---|
| SMILES | CCC(C)(C)OOC(C)(C)C#CC(C)(C1=CC=CC=C1)O |
Product Overview
5-Methyl-5-(tert-pentylperoxy)-2-phenylhex-3-yn-2-ol (CAS 157696-45-2), with molecular formula C18H26O3 and molecular weight 290.19 g/mol. IUPAC: 5-methyl-5-(2-methylbutan-2-ylperoxy)-2-phenylhex-3-yn-2-ol.
Chemical Property Profile of 5-Methyl-5-(tert-pentylperoxy)-2-phenylhex-3-yn-2-ol
Property Insights of 5-Methyl-5-(tert-pentylperoxy)-2-phenylhex-3-yn-2-ol
The XLogP value of 3.8129 indicates that 5-Methyl-5-(tert-pentylperoxy)-2-phenylhex-3-yn-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.69 Ų, 5-Methyl-5-(tert-pentylperoxy)-2-phenylhex-3-yn-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-5-(tert-pentylperoxy)-2-phenylhex-3-yn-2-ol has 1 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 5-Methyl-5-(tert-pentylperoxy)-2-phenylhex-3-yn-2-ol?
The CAS number of 5-Methyl-5-(tert-pentylperoxy)-2-phenylhex-3-yn-2-ol is 157696-45-2.
What is the molecular formula of 5-Methyl-5-(tert-pentylperoxy)-2-phenylhex-3-yn-2-ol?
The molecular formula of 5-Methyl-5-(tert-pentylperoxy)-2-phenylhex-3-yn-2-ol is C18H26O3.
What is the molecular weight of 5-Methyl-5-(tert-pentylperoxy)-2-phenylhex-3-yn-2-ol?
The molecular weight of 5-Methyl-5-(tert-pentylperoxy)-2-phenylhex-3-yn-2-ol is 290.19 g/mol.
Where can I buy 5-Methyl-5-(tert-pentylperoxy)-2-phenylhex-3-yn-2-ol?
You can request a quote for 5-Methyl-5-(tert-pentylperoxy)-2-phenylhex-3-yn-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-5-(tert-pentylperoxy)-2-phenylhex-3-yn-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-5-(tert-pentylperoxy)-2-phenylhex-3-yn-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.