5-(2-Ethylsulfanylpropyl)-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione
TL;DR: 5-(2-Ethylsulfanylpropyl)-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione (CAS 331985-96-7) is a chemical compound with molecular formula C19H31NO2S and molecular weight 337.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-ethylsulfanylpropyl)-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione
Also Known As: BAS 00746396, 5-(2-ethylsulfanylpropyl)-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione, 5-(2-ethylthiopropyl)-2-(pyrrolidinylbutylidene)cyclohexane-1,3-dione, 5-[2-(ethylthio)propyl]-2-(1-pyrrolidinobutylidene)cyclohexane-1,3-quinone, 5-[2-(Ethylsulfanyl)propyl]-2-[1-(1-pyrrolidinyl)butylidene]-1,3-cyclohexanedione #
| Molecular Formula | C19H31NO2S |
|---|---|
| Molecular Weight | 337.21 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 337.20755 |
| Heavy Atoms | 23 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 331985-96-7 |
|---|---|
| SMILES | CCCC(=C1C(=O)CC(CC1=O)CC(C)SCC)N2CCCC2 |
| InChIKey | FYRNLYAWMQKHCA-UHFFFAOYSA-N |
Product Overview
5-(2-Ethylsulfanylpropyl)-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione (CAS 331985-96-7), with molecular formula C19H31NO2S and molecular weight 337.21 g/mol. IUPAC: 5-(2-ethylsulfanylpropyl)-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione.
Chemical Property Profile of 5-(2-Ethylsulfanylpropyl)-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione
Property Insights of 5-(2-Ethylsulfanylpropyl)-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione
The XLogP value of 3.7 indicates that 5-(2-Ethylsulfanylpropyl)-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Ethylsulfanylpropyl)-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione. Following Lipinski's Rule of Five, 5-(2-Ethylsulfanylpropyl)-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione 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 5-(2-Ethylsulfanylpropyl)-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione?
The CAS number of 5-(2-Ethylsulfanylpropyl)-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione is 331985-96-7.
What is the molecular formula of 5-(2-Ethylsulfanylpropyl)-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione?
The molecular formula of 5-(2-Ethylsulfanylpropyl)-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione is C19H31NO2S.
What is the molecular weight of 5-(2-Ethylsulfanylpropyl)-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione?
The molecular weight of 5-(2-Ethylsulfanylpropyl)-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione is 337.21 g/mol.
Where can I buy 5-(2-Ethylsulfanylpropyl)-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione?
You can request a quote for 5-(2-Ethylsulfanylpropyl)-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Ethylsulfanylpropyl)-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Ethylsulfanylpropyl)-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.