![5-[2-(Ethylthio)propyl]-1,3-cyclohexanedione structure](/static/products/874/87476-15-1.png)
5-[2-(Ethylthio)propyl]-1,3-cyclohexanedione
TL;DR: 5-[2-(Ethylthio)propyl]-1,3-cyclohexanedione (CAS 87476-15-1) is a chemical compound with molecular formula C11H18O2S and molecular weight 214.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione
Also Known As: 4-Bromo-2-chloroanisole, 5-(2-(Ethylthio)propyl)cyclohexane-1,3-dione, 5-[2-(Ethylthio)propyl]-1,3-cyclohexanedione, 5- -1,3-CYCLOHEXANEDIONE, 5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione
| Molecular Formula | C11H18O2S |
|---|---|
| Molecular Weight | 214.10 g/mol |
| LogP | 2.4564 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.10275 |
| Heavy Atoms | 14 |
| Complexity | 209.32742 |
Chemical Identifiers
| CAS Number | 87476-15-1 |
|---|---|
| SMILES | CCSC(C)CC1CC(=O)CC(=O)C1 |
Product Overview
5-[2-(Ethylthio)propyl]-1,3-cyclohexanedione (CAS 87476-15-1), with molecular formula C11H18O2S and molecular weight 214.10 g/mol. IUPAC: 5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione.
Chemical Property Profile of 5-[2-(Ethylthio)propyl]-1,3-cyclohexanedione
Property Insights of 5-[2-(Ethylthio)propyl]-1,3-cyclohexanedione
The XLogP value of 2.4564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[2-(Ethylthio)propyl]-1,3-cyclohexanedione. With a topological polar surface area (TPSA) of 34.14 Ų, 5-[2-(Ethylthio)propyl]-1,3-cyclohexanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[2-(Ethylthio)propyl]-1,3-cyclohexanedione 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 5-[2-(Ethylthio)propyl]-1,3-cyclohexanedione?
The CAS number of 5-[2-(Ethylthio)propyl]-1,3-cyclohexanedione is 87476-15-1.
What is the molecular formula of 5-[2-(Ethylthio)propyl]-1,3-cyclohexanedione?
The molecular formula of 5-[2-(Ethylthio)propyl]-1,3-cyclohexanedione is C11H18O2S.
What is the molecular weight of 5-[2-(Ethylthio)propyl]-1,3-cyclohexanedione?
The molecular weight of 5-[2-(Ethylthio)propyl]-1,3-cyclohexanedione is 214.10 g/mol.
Where can I buy 5-[2-(Ethylthio)propyl]-1,3-cyclohexanedione?
You can request a quote for 5-[2-(Ethylthio)propyl]-1,3-cyclohexanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2-(Ethylthio)propyl]-1,3-cyclohexanedione?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(Ethylthio)propyl]-1,3-cyclohexanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.