n-Butylhydroperoxide
TL;DR: n-Butylhydroperoxide (CAS 4813-50-7) is a chemical compound with molecular formula C4H10O2 and molecular weight 90.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroperoxybutane
Also Known As: n-Butylhydroperoxide, Butyl hydroperoxide, Hydroperoxide, butyl, n-Butylperoxide, N-Butyl hydroperoxide
| Molecular Formula | C4H10O2 |
|---|---|
| Molecular Weight | 90.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 90.06808 |
| Heavy Atoms | 6 |
| Complexity | 21.0 |
Chemical Identifiers
| CAS Number | 4813-50-7 |
|---|---|
| SMILES | CCCCOO |
| InChIKey | AKUNSTOMHUXJOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Butylhydroperoxide (CAS 4813-50-7), with molecular formula C4H10O2 and molecular weight 90.07 g/mol. IUPAC: 1-hydroperoxybutane.
Chemical Property Profile of n-Butylhydroperoxide
Property Insights of n-Butylhydroperoxide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Butylhydroperoxide. With a topological polar surface area (TPSA) of 29.5 Ų, n-Butylhydroperoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Butylhydroperoxide 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-Butylhydroperoxide?
The CAS number of n-Butylhydroperoxide is 4813-50-7.
What is the molecular formula of n-Butylhydroperoxide?
The molecular formula of n-Butylhydroperoxide is C4H10O2.
What is the molecular weight of n-Butylhydroperoxide?
The molecular weight of n-Butylhydroperoxide is 90.07 g/mol.
Where can I buy n-Butylhydroperoxide?
You can request a quote for n-Butylhydroperoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Butylhydroperoxide?
Yes, KEHONG BIO provides custom synthesis services for n-Butylhydroperoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.