新庚烷过氧酸-1-甲基-1-苯基乙酯
TL;DR: 新庚烷过氧酸-1-甲基-1-苯基乙酯 (CAS 130097-36-8) is a chemical compound with molecular formula C16H24O3 and molecular weight 264.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
新庚烷过氧酸-1-甲基-1-苯基乙酯
2-phenylpropan-2-yl 4,4-dimethylpentaneperoxoate
Also Known As: cumyl peroxyneoheptanoate, a-cumylperoxyneoheptanoate, Neoheptaneperoxoic acid, 1-methyl-1-phenylethyl ester, 2-phenylpropan-2-yl 4,4-dimethylpentaneperoxoate, Neoheptaneperoxoic acid, 1-methyl-1-phenylethylester
| Molecular Formula | C16H24O3 |
|---|---|
| Molecular Weight | 264.17 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 264.17255 |
| Heavy Atoms | 19 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 130097-36-8 |
|---|---|
| SMILES | CC(C)(C)CCC(=O)OOC(C)(C)C1=CC=CC=C1 |
| InChIKey | WFAUFYAGXAXBEG-UHFFFAOYSA-N |
Product Overview
新庚烷过氧酸-1-甲基-1-苯基乙酯 (CAS 130097-36-8), with molecular formula C16H24O3 and molecular weight 264.17 g/mol. IUPAC: 2-phenylpropan-2-yl 4,4-dimethylpentaneperoxoate.
Chemical Property Profile of 新庚烷过氧酸-1-甲基-1-苯基乙酯
Property Insights of 新庚烷过氧酸-1-甲基-1-苯基乙酯
The XLogP value of 4.3 indicates that 新庚烷过氧酸-1-甲基-1-苯基乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 新庚烷过氧酸-1-甲基-1-苯基乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 新庚烷过氧酸-1-甲基-1-苯基乙酯 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 新庚烷过氧酸-1-甲基-1-苯基乙酯?
The CAS number of 新庚烷过氧酸-1-甲基-1-苯基乙酯 is 130097-36-8.
What is the molecular formula of 新庚烷过氧酸-1-甲基-1-苯基乙酯?
The molecular formula of 新庚烷过氧酸-1-甲基-1-苯基乙酯 is C16H24O3.
What is the molecular weight of 新庚烷过氧酸-1-甲基-1-苯基乙酯?
The molecular weight of 新庚烷过氧酸-1-甲基-1-苯基乙酯 is 264.17 g/mol.
Where can I buy 新庚烷过氧酸-1-甲基-1-苯基乙酯?
You can request a quote for 新庚烷过氧酸-1-甲基-1-苯基乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 新庚烷过氧酸-1-甲基-1-苯基乙酯?
Yes, KEHONG BIO provides custom synthesis services for 新庚烷过氧酸-1-甲基-1-苯基乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.