4-Methyl-4-((2-phenylpropan-2-yl)peroxy)pent-2-ynoic acid
TL;DR: 4-Methyl-4-((2-phenylpropan-2-yl)peroxy)pent-2-ynoic acid (CAS 148727-37-1) is a chemical compound with molecular formula C15H18O4 and molecular weight 262.1205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-4-(2-phenylpropan-2-ylperoxy)pent-2-ynoic acid
Also Known As: 4-methyl-4-(2-phenylpropan-2-ylperoxy)pent-2-ynoic Acid, 4-methyl-4-((2-phenylpropan-2-yl)peroxy)pent-2-ynoic acid, 4-METHYL-4-[(2-PHENYLPROPAN-2-YL)PEROXY]PENT-2-YNOIC ACID
Technical Specifications
| Molecular Formula | C15H18O4 |
| Molecular Weight | 262.1205 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.1205 Da |
| Heavy Atoms | 19 |
| Complexity | 377.0 |
| SMILES | CC(C)(C#CC(=O)O)OOC(C)(C)C1=CC=CC=C1 |
| InChIKey | ZSCNIKTWPQECCZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methyl-4-((2-phenylpropan-2-yl)peroxy)pent-2-ynoic acid
Property Insights of 4-Methyl-4-((2-phenylpropan-2-yl)peroxy)pent-2-ynoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-4-((2-phenylpropan-2-yl)peroxy)pent-2-ynoic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 4-Methyl-4-((2-phenylpropan-2-yl)peroxy)pent-2-ynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-4-((2-phenylpropan-2-yl)peroxy)pent-2-ynoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Methyl-4-((2-phenylpropan-2-yl)peroxy)pent-2-ynoic acid?
The CAS number of 4-Methyl-4-((2-phenylpropan-2-yl)peroxy)pent-2-ynoic acid is 148727-37-1.
What is the molecular formula of 4-Methyl-4-((2-phenylpropan-2-yl)peroxy)pent-2-ynoic acid?
The molecular formula of 4-Methyl-4-((2-phenylpropan-2-yl)peroxy)pent-2-ynoic acid is C15H18O4.
What is the molecular weight of 4-Methyl-4-((2-phenylpropan-2-yl)peroxy)pent-2-ynoic acid?
The molecular weight of 4-Methyl-4-((2-phenylpropan-2-yl)peroxy)pent-2-ynoic acid is 262.1205 g/mol.
Where can I buy 4-Methyl-4-((2-phenylpropan-2-yl)peroxy)pent-2-ynoic acid?
You can request a quote for 4-Methyl-4-((2-phenylpropan-2-yl)peroxy)pent-2-ynoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methyl-4-((2-phenylpropan-2-yl)peroxy)pent-2-ynoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Methyl-4-((2-phenylpropan-2-yl)peroxy)pent-2-ynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.