Ethyl 2,3-dimethyl-3-phenyloxirane-2-carboxylate
TL;DR: Ethyl 2,3-dimethyl-3-phenyloxirane-2-carboxylate (CAS 6325-47-9) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,3-dimethyl-3-phenyloxirane-2-carboxylate
Also Known As: ethyl 2,3-dimethyl-3-phenyloxirane-2-carboxylate, J1.702.991F, ethyl(z)-2,3-dimethyl-3-phenyloxirane-2-carboxylate, Ethyl 2,3-dimethyl-3-phenyl-2-oxiranecarboxylate #, 3-Phenyl-2-methyl-2,3-epoxy-buttersaeure-aethylester
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 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 | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 6325-47-9 |
|---|---|
| SMILES | CCOC(=O)C1(C(O1)(C)C2=CC=CC=C2)C |
| InChIKey | JPPCBYPJJZNXQS-UHFFFAOYSA-N |
Product Overview
Ethyl 2,3-dimethyl-3-phenyloxirane-2-carboxylate (CAS 6325-47-9), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: ethyl 2,3-dimethyl-3-phenyloxirane-2-carboxylate.
Chemical Property Profile of Ethyl 2,3-dimethyl-3-phenyloxirane-2-carboxylate
Property Insights of Ethyl 2,3-dimethyl-3-phenyloxirane-2-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,3-dimethyl-3-phenyloxirane-2-carboxylate. With a topological polar surface area (TPSA) of 38.8 Ų, Ethyl 2,3-dimethyl-3-phenyloxirane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,3-dimethyl-3-phenyloxirane-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 Ethyl 2,3-dimethyl-3-phenyloxirane-2-carboxylate?
The CAS number of Ethyl 2,3-dimethyl-3-phenyloxirane-2-carboxylate is 6325-47-9.
What is the molecular formula of Ethyl 2,3-dimethyl-3-phenyloxirane-2-carboxylate?
The molecular formula of Ethyl 2,3-dimethyl-3-phenyloxirane-2-carboxylate is C13H16O3.
What is the molecular weight of Ethyl 2,3-dimethyl-3-phenyloxirane-2-carboxylate?
The molecular weight of Ethyl 2,3-dimethyl-3-phenyloxirane-2-carboxylate is 220.11 g/mol.
Where can I buy Ethyl 2,3-dimethyl-3-phenyloxirane-2-carboxylate?
You can request a quote for Ethyl 2,3-dimethyl-3-phenyloxirane-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,3-dimethyl-3-phenyloxirane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,3-dimethyl-3-phenyloxirane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.