1-(2-(Decylthio)ethyl)-2-pyrrolidinone
TL;DR: 1-(2-(Decylthio)ethyl)-2-pyrrolidinone (CAS 113855-38-2) is a chemical compound with molecular formula C16H31NOS and molecular weight 285.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-decylsulfanylethyl)pyrrolidin-2-one
Also Known As: Pirotiodecane, Pyrrothiodecane, Hpe 101, 1-(2-(decylthio)ethyl)azacyclopentane-2-one, 1-(2-(Decylthio)ethyl)-2-pyrrolidinone
| Molecular Formula | C16H31NOS |
|---|---|
| Molecular Weight | 285.21 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 285.21265 |
| Heavy Atoms | 19 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 113855-38-2 |
|---|---|
| SMILES | CCCCCCCCCCSCCN1CCCC1=O |
| InChIKey | VDPRSOCKHVPZRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-(Decylthio)ethyl)-2-pyrrolidinone (CAS 113855-38-2), with molecular formula C16H31NOS and molecular weight 285.21 g/mol. IUPAC: 1-(2-decylsulfanylethyl)pyrrolidin-2-one.
Chemical Property Profile of 1-(2-(Decylthio)ethyl)-2-pyrrolidinone
Property Insights of 1-(2-(Decylthio)ethyl)-2-pyrrolidinone
The XLogP value of 4.9 indicates that 1-(2-(Decylthio)ethyl)-2-pyrrolidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 1-(2-(Decylthio)ethyl)-2-pyrrolidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-(Decylthio)ethyl)-2-pyrrolidinone has 0 hydrogen bond donor(s) and 2 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-(2-(Decylthio)ethyl)-2-pyrrolidinone?
The CAS number of 1-(2-(Decylthio)ethyl)-2-pyrrolidinone is 113855-38-2.
What is the molecular formula of 1-(2-(Decylthio)ethyl)-2-pyrrolidinone?
The molecular formula of 1-(2-(Decylthio)ethyl)-2-pyrrolidinone is C16H31NOS.
What is the molecular weight of 1-(2-(Decylthio)ethyl)-2-pyrrolidinone?
The molecular weight of 1-(2-(Decylthio)ethyl)-2-pyrrolidinone is 285.21 g/mol.
Where can I buy 1-(2-(Decylthio)ethyl)-2-pyrrolidinone?
You can request a quote for 1-(2-(Decylthio)ethyl)-2-pyrrolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(Decylthio)ethyl)-2-pyrrolidinone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(Decylthio)ethyl)-2-pyrrolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.