Ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)oxirane-2-carboxylate
TL;DR: Ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)oxirane-2-carboxylate (CAS 84473-78-9) is a chemical compound with molecular formula C13H20O3 and molecular weight 224.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)oxirane-2-carboxylate
Also Known As: EINECS 282-933-5, Ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)oxirane-2-carboxylate, 2-Oxiranecarboxylicacid, 3-(2,4-dimethyl-3-cyclohexen-1-yl)-, ethyl ester, 3-(2,4-Dimethyl-3-cyclohexen-1-yl)oxirane-2-carboxylic acid ethyl ester
| Molecular Formula | C13H20O3 |
|---|---|
| Molecular Weight | 224.14 g/mol |
| LogP | 2.3093 |
| Topological Polar Surface Area | 38.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.14125 |
| Heavy Atoms | 16 |
| Complexity | 308.29956 |
Chemical Identifiers
| CAS Number | 84473-78-9 |
|---|---|
| SMILES | CCOC(=O)C1C(O1)C2CCC(=CC2C)C |
Product Overview
Ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)oxirane-2-carboxylate (CAS 84473-78-9), with molecular formula C13H20O3 and molecular weight 224.14 g/mol. IUPAC: ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)oxirane-2-carboxylate.
Chemical Property Profile of Ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)oxirane-2-carboxylate
Property Insights of Ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)oxirane-2-carboxylate
The XLogP value of 2.3093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)oxirane-2-carboxylate. With a topological polar surface area (TPSA) of 38.83 Ų, Ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)oxirane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)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 Ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)oxirane-2-carboxylate?
The CAS number of Ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)oxirane-2-carboxylate is 84473-78-9.
What is the molecular formula of Ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)oxirane-2-carboxylate?
The molecular formula of Ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)oxirane-2-carboxylate is C13H20O3.
What is the molecular weight of Ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)oxirane-2-carboxylate?
The molecular weight of Ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)oxirane-2-carboxylate is 224.14 g/mol.
Where can I buy Ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)oxirane-2-carboxylate?
You can request a quote for Ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)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 Ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)oxirane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)oxirane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.