Ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate
TL;DR: Ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate (CAS 93804-65-0) is a chemical compound with molecular formula C15H24O3 and molecular weight 252.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate
Also Known As: Ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate, EINECS 298-442-4, Ethyl 2-hexyl-4-oxocyclohex-2-enecarboxylate, ethyl2-hexyl-4-oxocyclohex-2-ene-1-carboxylate, 2-Cyclohexene-1-carboxylicacid, 2-hexyl-4-oxo-, ethyl ester
| Molecular Formula | C15H24O3 |
|---|---|
| Molecular Weight | 252.17 g/mol |
| LogP | 3.4254 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 252.17255 |
| Heavy Atoms | 18 |
| Complexity | 317.7004 |
Chemical Identifiers
| CAS Number | 93804-65-0 |
|---|---|
| SMILES | CCCCCCC1=CC(=O)CCC1C(=O)OCC |
Product Overview
Ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate (CAS 93804-65-0), with molecular formula C15H24O3 and molecular weight 252.17 g/mol. IUPAC: ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate.
Chemical Property Profile of Ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate
Property Insights of Ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate
The XLogP value of 3.4254 indicates that Ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-hexyl-4-oxocyclohex-2-ene-1-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-hexyl-4-oxocyclohex-2-ene-1-carboxylate?
The CAS number of Ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate is 93804-65-0.
What is the molecular formula of Ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate?
The molecular formula of Ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate is C15H24O3.
What is the molecular weight of Ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate?
The molecular weight of Ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate is 252.17 g/mol.
Where can I buy Ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate?
You can request a quote for Ethyl 2-hexyl-4-oxocyclohex-2-ene-1-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-hexyl-4-oxocyclohex-2-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.