p-Chlorophenylbutylene oxide
TL;DR: p-Chlorophenylbutylene oxide (CAS 1189717-28-9) is a chemical compound with molecular formula C10H11ClO and molecular weight 182.04984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-chlorophenyl)ethyl]oxirane
Also Known As: p-Chlorophenylbutylene oxide, Butoconazole Impurity 6, 2-[2-(4-chlorophenyl)ethyl]oxirane, (2-(4-Chlorophenyl)ethyl)oxirane, Oxirane, 2-[2-(4-chlorophenyl)ethyl]-
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11ClO |
| Molecular Weight | 182.04984 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.04984 Da |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
| SMILES | C1C(O1)CCC2=CC=C(C=C2)Cl |
| InChIKey | XGQOGVGIYGXEDR-UHFFFAOYSA-N |
Chemical Property Profile of p-Chlorophenylbutylene oxide
Property Insights of p-Chlorophenylbutylene oxide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Chlorophenylbutylene oxide. With a topological polar surface area (TPSA) of 12.5 Ų, p-Chlorophenylbutylene oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Chlorophenylbutylene 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
What is the CAS number of p-Chlorophenylbutylene oxide?
The CAS number of p-Chlorophenylbutylene oxide is 1189717-28-9.
What is the molecular formula of p-Chlorophenylbutylene oxide?
The molecular formula of p-Chlorophenylbutylene oxide is C10H11ClO.
What is the molecular weight of p-Chlorophenylbutylene oxide?
The molecular weight of p-Chlorophenylbutylene oxide is 182.04984 g/mol.
Where can I buy p-Chlorophenylbutylene oxide?
You can request a quote for p-Chlorophenylbutylene oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-Chlorophenylbutylene oxide?
Yes, CoreyChem provides custom synthesis services for p-Chlorophenylbutylene oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.