5-Phenylpent-4-enyl-1-hydroperoxide
TL;DR: 5-Phenylpent-4-enyl-1-hydroperoxide (CAS 94242-71-4) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroperoxypent-1-enylbenzene
Also Known As: PPHP, 5-Phenylpent-4-enyl-1-hydroperoxide, 1-hydroperoxy-5-phenyl-4-pentene, 5-hydroperoxypent-1-enylbenzene, 5-Phenyl-4-pentenyl-1-hydroperoxide
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 94242-71-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CCCCOO |
| InChIKey | MQSMIOKTOYAPHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Phenylpent-4-enyl-1-hydroperoxide (CAS 94242-71-4), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 5-hydroperoxypent-1-enylbenzene.
Chemical Property Profile of 5-Phenylpent-4-enyl-1-hydroperoxide
Property Insights of 5-Phenylpent-4-enyl-1-hydroperoxide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenylpent-4-enyl-1-hydroperoxide. With a topological polar surface area (TPSA) of 29.5 Ų, 5-Phenylpent-4-enyl-1-hydroperoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenylpent-4-enyl-1-hydroperoxide 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 5-Phenylpent-4-enyl-1-hydroperoxide?
The CAS number of 5-Phenylpent-4-enyl-1-hydroperoxide is 94242-71-4.
What is the molecular formula of 5-Phenylpent-4-enyl-1-hydroperoxide?
The molecular formula of 5-Phenylpent-4-enyl-1-hydroperoxide is C11H14O2.
What is the molecular weight of 5-Phenylpent-4-enyl-1-hydroperoxide?
The molecular weight of 5-Phenylpent-4-enyl-1-hydroperoxide is 178.10 g/mol.
Where can I buy 5-Phenylpent-4-enyl-1-hydroperoxide?
You can request a quote for 5-Phenylpent-4-enyl-1-hydroperoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenylpent-4-enyl-1-hydroperoxide?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenylpent-4-enyl-1-hydroperoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.