2-Butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one
TL;DR: 2-Butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one (CAS 169677-02-5) 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.
2-butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one
Also Known As: BAS 00701906, 2-butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one, 2-Butyryl-5-(2-ethylsulfanyl-propyl)-3-pyrrolidin-1-yl-cyclohex-2-enone, 2-butyryl-5-[2-(ethylsulfanyl)propyl]-3-(1-pyrrolidinyl)-2-cyclohexen-1-one
| Molecular Formula | C19H31NO2S |
|---|---|
| Molecular Weight | 337.21 g/mol |
| LogP | 4.2163 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 337.20755 |
| Heavy Atoms | 23 |
| Complexity | 465.99008 |
Chemical Identifiers
| CAS Number | 169677-02-5 |
|---|---|
| SMILES | CCCC(=O)C1=C(CC(CC1=O)CC(C)SCC)N2CCCC2 |
Product Overview
2-Butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one (CAS 169677-02-5), with molecular formula C19H31NO2S and molecular weight 337.21 g/mol. IUPAC: 2-butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one.
Chemical Property Profile of 2-Butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one
Property Insights of 2-Butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one
The XLogP value of 4.2163 indicates that 2-Butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, 2-Butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one 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 2-Butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one?
The CAS number of 2-Butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one is 169677-02-5.
What is the molecular formula of 2-Butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one?
The molecular formula of 2-Butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one is C19H31NO2S.
What is the molecular weight of 2-Butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one?
The molecular weight of 2-Butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one is 337.21 g/mol.
Where can I buy 2-Butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one?
You can request a quote for 2-Butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.