![Ethyl 2-[2-(ethylthio)propyl]-4,6-dioxocyclohexanecarboxylate structure](/static/products/904/90498-50-3.png)
Ethyl 2-[2-(ethylthio)propyl]-4,6-dioxocyclohexanecarboxylate
TL;DR: Ethyl 2-[2-(ethylthio)propyl]-4,6-dioxocyclohexanecarboxylate (CAS 90498-50-3) is a chemical compound with molecular formula C14H22O4S and molecular weight 286.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-ethylsulfanylpropyl)-4,6-dioxocyclohexane-1-carboxylate
Also Known As: BAS 00701669, ethyl 2-[2-(ethylthio)propyl]-4,6-dioxocyclohexanecarboxylate, ETHYL 2-(2-(ETHYLTHIO)PROPYL)-4,6-DIOXOCYCLOHEXANECARBOXYLATE, 5-(2-ethylthiopropyl)-6-carbethoxycyclohexane-1,3-dione, Ethyl 2-(2-(ethylthio)propyl)-4,6-dioxocyclohexane-1-carboxylate
| Molecular Formula | C14H22O4S |
|---|---|
| Molecular Weight | 286.12 g/mol |
| LogP | 2.2456 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.12387 |
| Heavy Atoms | 19 |
| Complexity | 353.35513 |
Chemical Identifiers
| CAS Number | 90498-50-3 |
|---|---|
| SMILES | CCOC(=O)C1C(CC(=O)CC1=O)CC(C)SCC |
Product Overview
Ethyl 2-[2-(ethylthio)propyl]-4,6-dioxocyclohexanecarboxylate (CAS 90498-50-3), with molecular formula C14H22O4S and molecular weight 286.12 g/mol. IUPAC: ethyl 2-(2-ethylsulfanylpropyl)-4,6-dioxocyclohexane-1-carboxylate.
Chemical Property Profile of Ethyl 2-[2-(ethylthio)propyl]-4,6-dioxocyclohexanecarboxylate
Property Insights of Ethyl 2-[2-(ethylthio)propyl]-4,6-dioxocyclohexanecarboxylate
The XLogP value of 2.2456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[2-(ethylthio)propyl]-4,6-dioxocyclohexanecarboxylate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[2-(ethylthio)propyl]-4,6-dioxocyclohexanecarboxylate. Following Lipinski's Rule of Five, Ethyl 2-[2-(ethylthio)propyl]-4,6-dioxocyclohexanecarboxylate has 0 hydrogen bond donor(s) and 5 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-[2-(ethylthio)propyl]-4,6-dioxocyclohexanecarboxylate?
The CAS number of Ethyl 2-[2-(ethylthio)propyl]-4,6-dioxocyclohexanecarboxylate is 90498-50-3.
What is the molecular formula of Ethyl 2-[2-(ethylthio)propyl]-4,6-dioxocyclohexanecarboxylate?
The molecular formula of Ethyl 2-[2-(ethylthio)propyl]-4,6-dioxocyclohexanecarboxylate is C14H22O4S.
What is the molecular weight of Ethyl 2-[2-(ethylthio)propyl]-4,6-dioxocyclohexanecarboxylate?
The molecular weight of Ethyl 2-[2-(ethylthio)propyl]-4,6-dioxocyclohexanecarboxylate is 286.12 g/mol.
Where can I buy Ethyl 2-[2-(ethylthio)propyl]-4,6-dioxocyclohexanecarboxylate?
You can request a quote for Ethyl 2-[2-(ethylthio)propyl]-4,6-dioxocyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[2-(ethylthio)propyl]-4,6-dioxocyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[2-(ethylthio)propyl]-4,6-dioxocyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.