N-Propyl hydroperoxide
TL;DR: N-Propyl hydroperoxide (CAS 6068-96-8) is a chemical compound with molecular formula C3H8O2 and molecular weight 76.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroperoxypropane
Also Known As: N-Propyl hydroperoxide, Propylhydroperoxide, oxypropylate, propyl hydroperoxide, 1-hydroperoxypropane
| Molecular Formula | C3H8O2 |
|---|---|
| Molecular Weight | 76.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 76.05243 |
| Heavy Atoms | 5 |
| Complexity | 14.0 |
Chemical Identifiers
| CAS Number | 6068-96-8 |
|---|---|
| SMILES | CCCOO |
| InChIKey | TURGQPDWYFJEDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Propyl hydroperoxide (CAS 6068-96-8), with molecular formula C3H8O2 and molecular weight 76.05 g/mol. IUPAC: 1-hydroperoxypropane.
Chemical Property Profile of N-Propyl hydroperoxide
Property Insights of N-Propyl hydroperoxide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Propyl hydroperoxide. With a topological polar surface area (TPSA) of 29.5 Ų, N-Propyl hydroperoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Propyl 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 N-Propyl hydroperoxide?
The CAS number of N-Propyl hydroperoxide is 6068-96-8.
What is the molecular formula of N-Propyl hydroperoxide?
The molecular formula of N-Propyl hydroperoxide is C3H8O2.
What is the molecular weight of N-Propyl hydroperoxide?
The molecular weight of N-Propyl hydroperoxide is 76.05 g/mol.
Where can I buy N-Propyl hydroperoxide?
You can request a quote for N-Propyl hydroperoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Propyl hydroperoxide?
Yes, KEHONG BIO provides custom synthesis services for N-Propyl hydroperoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.