Isopropyl 3-methyl-3-(p-isobutylphenyl)oxirane-2-carboxylate
TL;DR: Isopropyl 3-methyl-3-(p-isobutylphenyl)oxirane-2-carboxylate (CAS 53500-83-7) is a chemical compound with molecular formula C17H24O3 and molecular weight 276.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-methyl-3-[4-(2-methylpropyl)phenyl]oxirane-2-carboxylate
Also Known As: isopropyl3-methyl-3- oxirane-2-carboxylate, Isopropyl 3-methyl-3-(p-isobutylphenyl)oxirane-2-carboxylate, isopropyl 3-(4-isobutylphenyl)-3-methyloxirane-2-carboxylate, propan-2-yl 3-methyl-3-[4-(2-methylpropyl)phenyl]oxirane-2-carboxylate, Oxiranecarboxylic acid, 3-methyl-3-(4-(2-methylpropyl)phenyl)-, 1-methylethyl ester
| Molecular Formula | C17H24O3 |
|---|---|
| Molecular Weight | 276.17 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.17255 |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 53500-83-7 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C2(C(O2)C(=O)OC(C)C)C |
| InChIKey | CVDNLNHDGFLFBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 3-methyl-3-(p-isobutylphenyl)oxirane-2-carboxylate (CAS 53500-83-7), with molecular formula C17H24O3 and molecular weight 276.17 g/mol. IUPAC: propan-2-yl 3-methyl-3-[4-(2-methylpropyl)phenyl]oxirane-2-carboxylate.
Chemical Property Profile of Isopropyl 3-methyl-3-(p-isobutylphenyl)oxirane-2-carboxylate
Property Insights of Isopropyl 3-methyl-3-(p-isobutylphenyl)oxirane-2-carboxylate
The XLogP value of 3.9 indicates that Isopropyl 3-methyl-3-(p-isobutylphenyl)oxirane-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Isopropyl 3-methyl-3-(p-isobutylphenyl)oxirane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 3-methyl-3-(p-isobutylphenyl)oxirane-2-carboxylate has 0 hydrogen bond donor(s) and 3 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 Isopropyl 3-methyl-3-(p-isobutylphenyl)oxirane-2-carboxylate?
The CAS number of Isopropyl 3-methyl-3-(p-isobutylphenyl)oxirane-2-carboxylate is 53500-83-7.
What is the molecular formula of Isopropyl 3-methyl-3-(p-isobutylphenyl)oxirane-2-carboxylate?
The molecular formula of Isopropyl 3-methyl-3-(p-isobutylphenyl)oxirane-2-carboxylate is C17H24O3.
What is the molecular weight of Isopropyl 3-methyl-3-(p-isobutylphenyl)oxirane-2-carboxylate?
The molecular weight of Isopropyl 3-methyl-3-(p-isobutylphenyl)oxirane-2-carboxylate is 276.17 g/mol.
Where can I buy Isopropyl 3-methyl-3-(p-isobutylphenyl)oxirane-2-carboxylate?
You can request a quote for Isopropyl 3-methyl-3-(p-isobutylphenyl)oxirane-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 3-methyl-3-(p-isobutylphenyl)oxirane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 3-methyl-3-(p-isobutylphenyl)oxirane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.