![[2-[4-Methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate structure](/static/products/6245/62458-34-8.webp)
[2-[4-Methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate
TL;DR: [2-[4-Methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate (CAS 62458-34-8) is a chemical compound with molecular formula C21H22O5 and molecular weight 354.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate
Also Known As: BOHLMANN K2687, 10-Benzoyloxy-8,9-epoxythymol isobutyrate, [2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate, (2-{4-methyl-2-[(2-methylpropanoyl)oxy]phenyl}oxiran-2-yl)methyl benzoate, [2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]meth
| Molecular Formula | C21H22O5 |
|---|---|
| Molecular Weight | 354.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 354.14673 |
| Heavy Atoms | 26 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 62458-34-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2(CO2)COC(=O)C3=CC=CC=C3)OC(=O)C(C)C |
| InChIKey | FJLQUQYSVZGXDR-UHFFFAOYSA-N |
Product Overview
[2-[4-Methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate (CAS 62458-34-8), with molecular formula C21H22O5 and molecular weight 354.15 g/mol. IUPAC: [2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate.
Chemical Property Profile of [2-[4-Methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate
Property Insights of [2-[4-Methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate
The XLogP value of 3.9 indicates that [2-[4-Methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[4-Methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate. Following Lipinski's Rule of Five, [2-[4-Methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate has 0 hydrogen bond donor(s) and 5 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-[4-Methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate?
The CAS number of [2-[4-Methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate is 62458-34-8.
What is the molecular formula of [2-[4-Methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate?
The molecular formula of [2-[4-Methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate is C21H22O5.
What is the molecular weight of [2-[4-Methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate?
The molecular weight of [2-[4-Methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate is 354.15 g/mol.
Where can I buy [2-[4-Methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate?
You can request a quote for [2-[4-Methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[4-Methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[4-Methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.