2-(Tert-butyl)-3'-(4-chlorophenyl)-2,2'-bioxirane
TL;DR: 2-(Tert-butyl)-3'-(4-chlorophenyl)-2,2'-bioxirane (CAS 1005099-16-0) is a chemical compound with molecular formula C14H17ClO2 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-2-[3-(4-chlorophenyl)oxiran-2-yl]oxirane
Also Known As: 2-(tert-butyl)-3'-(4-chlorophenyl)-2,2'-bioxirane, 2-tert-butyl-2-[3-(4-chlorophenyl)oxiran-2-yl]oxirane
| Molecular Formula | C14H17ClO2 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 3.595 |
| Topological Polar Surface Area | 25.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.0917 |
| Heavy Atoms | 17 |
| Complexity | 428.53058 |
Chemical Identifiers
| CAS Number | 1005099-16-0 |
|---|---|
| SMILES | CC(C)(C)C1(CO1)C2C(O2)C3=CC=C(C=C3)Cl |
Product Overview
2-(Tert-butyl)-3'-(4-chlorophenyl)-2,2'-bioxirane (CAS 1005099-16-0), with molecular formula C14H17ClO2 and molecular weight 252.09 g/mol. IUPAC: 2-tert-butyl-2-[3-(4-chlorophenyl)oxiran-2-yl]oxirane.
Chemical Property Profile of 2-(Tert-butyl)-3'-(4-chlorophenyl)-2,2'-bioxirane
Property Insights of 2-(Tert-butyl)-3'-(4-chlorophenyl)-2,2'-bioxirane
The XLogP value of 3.595 indicates that 2-(Tert-butyl)-3'-(4-chlorophenyl)-2,2'-bioxirane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.06 Ų, 2-(Tert-butyl)-3'-(4-chlorophenyl)-2,2'-bioxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Tert-butyl)-3'-(4-chlorophenyl)-2,2'-bioxirane has 0 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 2-(Tert-butyl)-3'-(4-chlorophenyl)-2,2'-bioxirane?
The CAS number of 2-(Tert-butyl)-3'-(4-chlorophenyl)-2,2'-bioxirane is 1005099-16-0.
What is the molecular formula of 2-(Tert-butyl)-3'-(4-chlorophenyl)-2,2'-bioxirane?
The molecular formula of 2-(Tert-butyl)-3'-(4-chlorophenyl)-2,2'-bioxirane is C14H17ClO2.
What is the molecular weight of 2-(Tert-butyl)-3'-(4-chlorophenyl)-2,2'-bioxirane?
The molecular weight of 2-(Tert-butyl)-3'-(4-chlorophenyl)-2,2'-bioxirane is 252.09 g/mol.
Where can I buy 2-(Tert-butyl)-3'-(4-chlorophenyl)-2,2'-bioxirane?
You can request a quote for 2-(Tert-butyl)-3'-(4-chlorophenyl)-2,2'-bioxirane 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)-3'-(4-chlorophenyl)-2,2'-bioxirane?
Yes, KEHONG BIO provides custom synthesis services for 2-(Tert-butyl)-3'-(4-chlorophenyl)-2,2'-bioxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.