Ethyl 3-hexyloxirane-2-carboxylate
TL;DR: Ethyl 3-hexyloxirane-2-carboxylate (CAS 94022-08-9) is a chemical compound with molecular formula C11H20O3 and molecular weight 200.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-hexyloxirane-2-carboxylate
Also Known As: Ethyl 3-hexyloxirane-2-carboxylate, EINECS 301-502-5, 3-Hexyl-2-oxiranecarboxylic acid ethyl ester, Oxiranecarboxylic acid, 3-hexyl-, ethyl ester
| Molecular Formula | C11H20O3 |
|---|---|
| Molecular Weight | 200.14 g/mol |
| LogP | 2.2873 |
| Topological Polar Surface Area | 38.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 200.14125 |
| Heavy Atoms | 14 |
| Complexity | 179.37146 |
Chemical Identifiers
| CAS Number | 94022-08-9 |
|---|---|
| SMILES | CCCCCCC1C(O1)C(=O)OCC |
Product Overview
Ethyl 3-hexyloxirane-2-carboxylate (CAS 94022-08-9), with molecular formula C11H20O3 and molecular weight 200.14 g/mol. IUPAC: ethyl 3-hexyloxirane-2-carboxylate.
Chemical Property Profile of Ethyl 3-hexyloxirane-2-carboxylate
Property Insights of Ethyl 3-hexyloxirane-2-carboxylate
The XLogP value of 2.2873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-hexyloxirane-2-carboxylate. With a topological polar surface area (TPSA) of 38.83 Ų, Ethyl 3-hexyloxirane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-hexyloxirane-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-hexyloxirane-2-carboxylate?
The CAS number of Ethyl 3-hexyloxirane-2-carboxylate is 94022-08-9.
What is the molecular formula of Ethyl 3-hexyloxirane-2-carboxylate?
The molecular formula of Ethyl 3-hexyloxirane-2-carboxylate is C11H20O3.
What is the molecular weight of Ethyl 3-hexyloxirane-2-carboxylate?
The molecular weight of Ethyl 3-hexyloxirane-2-carboxylate is 200.14 g/mol.
Where can I buy Ethyl 3-hexyloxirane-2-carboxylate?
You can request a quote for Ethyl 3-hexyloxirane-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-hexyloxirane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-hexyloxirane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.