2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane
TL;DR: 2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane (CAS 80443-63-6) is a chemical compound with molecular formula C14H19ClO and molecular weight 238.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-2-[2-(4-chlorophenyl)ethyl]oxirane
Also Known As: 2-tert-Butyl-2-[2-(4-chlorophenyl)ethyl]oxirane, Tebuconazol precursor, 2-(2-(4-Chlorophenyl)ethyl)-2-(1,1-dimethylethyl)oxirane, 2-[2-(4-Chlorophenyl)ethyl]-2-(1,1-dimethylethyl)-oxirane, 2-[2- ethyl]-2- -oxirane
| Molecular Formula | C14H19ClO |
|---|---|
| Molecular Weight | 238.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.11244 |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 80443-63-6 |
|---|---|
| SMILES | CC(C)(C)C1(CO1)CCC2=CC=C(C=C2)Cl |
| InChIKey | QLCGXXYDHCTVKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane (CAS 80443-63-6), with molecular formula C14H19ClO and molecular weight 238.11 g/mol. IUPAC: 2-tert-butyl-2-[2-(4-chlorophenyl)ethyl]oxirane.
Chemical Property Profile of 2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane
Property Insights of 2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane
The XLogP value of 4.4 indicates that 2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane 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 2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane?
The CAS number of 2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane is 80443-63-6.
What is the molecular formula of 2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane?
The molecular formula of 2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane is C14H19ClO.
What is the molecular weight of 2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane?
The molecular weight of 2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane is 238.11 g/mol.
Where can I buy 2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane?
You can request a quote for 2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.