Ethyl 3-(4-methylphenyl)-2-oxiranecarboxylate
TL;DR: Ethyl 3-(4-methylphenyl)-2-oxiranecarboxylate (CAS 52788-71-3) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-methylphenyl)oxirane-2-carboxylate
Also Known As: Ethyl 3-p-tolyloxirane-2-carboxylate, 2,3-Epoxybutanal, Ethyl 3-(4-methylphenyl)glycidate, 3-(p-Tolyl)glycidic acid, ethyl ester, ethyl 3-(4-methylphenyl)oxirane-2-carboxylate
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 52788-71-3 |
|---|---|
| SMILES | CCOC(=O)C1C(O1)C2=CC=C(C=C2)C |
| InChIKey | UMSHXRVBYUKRDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(4-methylphenyl)-2-oxiranecarboxylate (CAS 52788-71-3), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: ethyl 3-(4-methylphenyl)oxirane-2-carboxylate.
Chemical Property Profile of Ethyl 3-(4-methylphenyl)-2-oxiranecarboxylate
Property Insights of Ethyl 3-(4-methylphenyl)-2-oxiranecarboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(4-methylphenyl)-2-oxiranecarboxylate. With a topological polar surface area (TPSA) of 38.8 Ų, Ethyl 3-(4-methylphenyl)-2-oxiranecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(4-methylphenyl)-2-oxiranecarboxylate 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 Ethyl 3-(4-methylphenyl)-2-oxiranecarboxylate?
The CAS number of Ethyl 3-(4-methylphenyl)-2-oxiranecarboxylate is 52788-71-3.
What is the molecular formula of Ethyl 3-(4-methylphenyl)-2-oxiranecarboxylate?
The molecular formula of Ethyl 3-(4-methylphenyl)-2-oxiranecarboxylate is C12H14O3.
What is the molecular weight of Ethyl 3-(4-methylphenyl)-2-oxiranecarboxylate?
The molecular weight of Ethyl 3-(4-methylphenyl)-2-oxiranecarboxylate is 206.09 g/mol.
Where can I buy Ethyl 3-(4-methylphenyl)-2-oxiranecarboxylate?
You can request a quote for Ethyl 3-(4-methylphenyl)-2-oxiranecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-methylphenyl)-2-oxiranecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-methylphenyl)-2-oxiranecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.