2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester
TL;DR: 2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester (CAS 56630-76-3) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-ethyl-3-methyl-3-phenyloxirane-2-carboxylate
Also Known As: Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester, ethyl 2-ethyl-3-methyl-3-phenyloxirane-2-carboxylate, ethyl 2-ethyl-3-methyl-3-phenyl glycidate, Ethyl alpha-ethyl-beta-methyl-beta-phenylglycidate, 2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 56630-76-3 |
|---|---|
| SMILES | CCC1(C(O1)(C)C2=CC=CC=C2)C(=O)OCC |
| InChIKey | MNSJAWVIQMGRPA-UHFFFAOYSA-N |
Product Overview
2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester (CAS 56630-76-3), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: ethyl 2-ethyl-3-methyl-3-phenyloxirane-2-carboxylate.
Chemical Property Profile of 2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester
Property Insights of 2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester. With a topological polar surface area (TPSA) of 38.8 Ų, 2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester 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 2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester?
The CAS number of 2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester is 56630-76-3.
What is the molecular formula of 2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester?
The molecular formula of 2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester is C14H18O3.
What is the molecular weight of 2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester?
The molecular weight of 2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester is 234.13 g/mol.
Where can I buy 2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester?
You can request a quote for 2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.