1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)-
TL;DR: 1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)- (CAS 99422-01-2) is a chemical compound with molecular formula C14H22O3S and molecular weight 270.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-ethylsulfanylpropyl)-2-propanoylcyclohexane-1,3-dione
Also Known As: 1,3-Cyclohexanedione, 5-[2-(ethylthio)propyl]-2-(1-oxopropyl)-, 5-[2-(ethylsulfanyl)propyl]-2-propanoylcyclohexane-1,3-dione, 1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)-, J1.584.737I, 5-((2-Ethylthio)propyl)-2-(1-oxopropyl)-1,3-cyclohexanedione
| Molecular Formula | C14H22O3S |
|---|---|
| Molecular Weight | 270.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.12897 |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 99422-01-2 |
|---|---|
| SMILES | CCC(=O)C1C(=O)CC(CC1=O)CC(C)SCC |
| InChIKey | MMMFVTMCUXGRHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)- (CAS 99422-01-2), with molecular formula C14H22O3S and molecular weight 270.13 g/mol. IUPAC: 5-(2-ethylsulfanylpropyl)-2-propanoylcyclohexane-1,3-dione.
Chemical Property Profile of 1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)-
Property Insights of 1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)-. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)-. Following Lipinski's Rule of Five, 1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)- has 0 hydrogen bond donor(s) and 4 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 1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)-?
The CAS number of 1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)- is 99422-01-2.
What is the molecular formula of 1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)-?
The molecular formula of 1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)- is C14H22O3S.
What is the molecular weight of 1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)-?
The molecular weight of 1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)- is 270.13 g/mol.
Where can I buy 1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)-?
You can request a quote for 1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.