Ethyl 6-butyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate
TL;DR: Ethyl 6-butyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate (CAS 59151-18-7) is a chemical compound with molecular formula C14H22O3 and molecular weight 238.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-butyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate
Also Known As: ethyl 6-butyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate, ethyl 6-butyl-2-methyl-4-oxocyclohex-2-enecarboxylate
| Molecular Formula | C14H22O3 |
|---|---|
| Molecular Weight | 238.16 g/mol |
| LogP | 2.8912 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.15689 |
| Heavy Atoms | 17 |
| Complexity | 317.42902 |
Chemical Identifiers
| CAS Number | 59151-18-7 |
|---|---|
| SMILES | CCCCC1CC(=O)C=C(C1C(=O)OCC)C |
Product Overview
Ethyl 6-butyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate (CAS 59151-18-7), with molecular formula C14H22O3 and molecular weight 238.16 g/mol. IUPAC: ethyl 6-butyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate.
Chemical Property Profile of Ethyl 6-butyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate
Property Insights of Ethyl 6-butyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate
The XLogP value of 2.8912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-butyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 6-butyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-butyl-2-methyl-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 6-butyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate?
The CAS number of Ethyl 6-butyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate is 59151-18-7.
What is the molecular formula of Ethyl 6-butyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate?
The molecular formula of Ethyl 6-butyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate is C14H22O3.
What is the molecular weight of Ethyl 6-butyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate?
The molecular weight of Ethyl 6-butyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate is 238.16 g/mol.
Where can I buy Ethyl 6-butyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate?
You can request a quote for Ethyl 6-butyl-2-methyl-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 6-butyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-butyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.