1-Methyl-2-oxo-2-(1-pyrrolidinyl)ethyl 4-methylphenyl sulfide
TL;DR: 1-Methyl-2-oxo-2-(1-pyrrolidinyl)ethyl 4-methylphenyl sulfide (CAS 664315-89-3) is a chemical compound with molecular formula C14H19NOS and molecular weight 249.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
Also Known As: 1-{2-[(4-Methylphenyl)thio]propanoyl}, 1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl 4-methylphenyl sulfide, 1-{2-[(4-methylphenyl)thio]propanoyl}pyrrolidine, AH-487/41801273, 2-(4-methylphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
| Molecular Formula | C14H19NOS |
|---|---|
| Molecular Weight | 249.12 g/mol |
| LogP | 3.09802 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.11873 |
| Heavy Atoms | 17 |
| Complexity | 381.71362 |
Chemical Identifiers
| CAS Number | 664315-89-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(C)C(=O)N2CCCC2 |
Product Overview
1-Methyl-2-oxo-2-(1-pyrrolidinyl)ethyl 4-methylphenyl sulfide (CAS 664315-89-3), with molecular formula C14H19NOS and molecular weight 249.12 g/mol. IUPAC: 2-(4-methylphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one.
Chemical Property Profile of 1-Methyl-2-oxo-2-(1-pyrrolidinyl)ethyl 4-methylphenyl sulfide
Property Insights of 1-Methyl-2-oxo-2-(1-pyrrolidinyl)ethyl 4-methylphenyl sulfide
The XLogP value of 3.09802 indicates that 1-Methyl-2-oxo-2-(1-pyrrolidinyl)ethyl 4-methylphenyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 1-Methyl-2-oxo-2-(1-pyrrolidinyl)ethyl 4-methylphenyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-oxo-2-(1-pyrrolidinyl)ethyl 4-methylphenyl sulfide 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-Methyl-2-oxo-2-(1-pyrrolidinyl)ethyl 4-methylphenyl sulfide?
The CAS number of 1-Methyl-2-oxo-2-(1-pyrrolidinyl)ethyl 4-methylphenyl sulfide is 664315-89-3.
What is the molecular formula of 1-Methyl-2-oxo-2-(1-pyrrolidinyl)ethyl 4-methylphenyl sulfide?
The molecular formula of 1-Methyl-2-oxo-2-(1-pyrrolidinyl)ethyl 4-methylphenyl sulfide is C14H19NOS.
What is the molecular weight of 1-Methyl-2-oxo-2-(1-pyrrolidinyl)ethyl 4-methylphenyl sulfide?
The molecular weight of 1-Methyl-2-oxo-2-(1-pyrrolidinyl)ethyl 4-methylphenyl sulfide is 249.12 g/mol.
Where can I buy 1-Methyl-2-oxo-2-(1-pyrrolidinyl)ethyl 4-methylphenyl sulfide?
You can request a quote for 1-Methyl-2-oxo-2-(1-pyrrolidinyl)ethyl 4-methylphenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-oxo-2-(1-pyrrolidinyl)ethyl 4-methylphenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-oxo-2-(1-pyrrolidinyl)ethyl 4-methylphenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.