p-Butylstyrene oxide
TL;DR: p-Butylstyrene oxide (CAS 7623-20-3) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-butylphenyl)oxirane
Also Known As: p-Butylstyrene oxide, (4-Butylphenyl)oxirane, Oxirane, (4-butylphenyl)-, 2-(4-butylphenyl)oxirane, BRN 5503511
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 7623-20-3 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)C2CO2 |
| InChIKey | NFGNYINFMSKFKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Butylstyrene oxide (CAS 7623-20-3), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 2-(4-butylphenyl)oxirane.
Chemical Property Profile of p-Butylstyrene oxide
Property Insights of p-Butylstyrene oxide
The XLogP value of 3.3 indicates that p-Butylstyrene oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, p-Butylstyrene oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Butylstyrene oxide has 0 hydrogen bond donor(s) and 1 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 p-Butylstyrene oxide?
The CAS number of p-Butylstyrene oxide is 7623-20-3.
What is the molecular formula of p-Butylstyrene oxide?
The molecular formula of p-Butylstyrene oxide is C12H16O.
What is the molecular weight of p-Butylstyrene oxide?
The molecular weight of p-Butylstyrene oxide is 176.12 g/mol.
Where can I buy p-Butylstyrene oxide?
You can request a quote for p-Butylstyrene oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Butylstyrene oxide?
Yes, KEHONG BIO provides custom synthesis services for p-Butylstyrene oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.