2-(Methylsulfanyl)-1-phenylbutan-1-one
TL;DR: 2-(Methylsulfanyl)-1-phenylbutan-1-one (CAS 14229-63-1) is a chemical compound with molecular formula C11H14OS and molecular weight 194.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-1-phenylbutan-1-one
Also Known As: 2-(Methylsulfanyl)-1-phenylbutan-1-one, alpha-Methylmercapto-butyrophenon, 2-methylsulfanyl-1-phenylbutan-1-one
| Molecular Formula | C11H14OS |
|---|---|
| Molecular Weight | 194.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.07654 |
| Heavy Atoms | 13 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 14229-63-1 |
|---|---|
| SMILES | CCC(C(=O)C1=CC=CC=C1)SC |
| InChIKey | DNTIOSKYOIIKGM-UHFFFAOYSA-N |
Product Overview
2-(Methylsulfanyl)-1-phenylbutan-1-one (CAS 14229-63-1), with molecular formula C11H14OS and molecular weight 194.08 g/mol. IUPAC: 2-methylsulfanyl-1-phenylbutan-1-one.
Chemical Property Profile of 2-(Methylsulfanyl)-1-phenylbutan-1-one
Property Insights of 2-(Methylsulfanyl)-1-phenylbutan-1-one
The XLogP value of 3.2 indicates that 2-(Methylsulfanyl)-1-phenylbutan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 2-(Methylsulfanyl)-1-phenylbutan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylsulfanyl)-1-phenylbutan-1-one 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 2-(Methylsulfanyl)-1-phenylbutan-1-one?
The CAS number of 2-(Methylsulfanyl)-1-phenylbutan-1-one is 14229-63-1.
What is the molecular formula of 2-(Methylsulfanyl)-1-phenylbutan-1-one?
The molecular formula of 2-(Methylsulfanyl)-1-phenylbutan-1-one is C11H14OS.
What is the molecular weight of 2-(Methylsulfanyl)-1-phenylbutan-1-one?
The molecular weight of 2-(Methylsulfanyl)-1-phenylbutan-1-one is 194.08 g/mol.
Where can I buy 2-(Methylsulfanyl)-1-phenylbutan-1-one?
You can request a quote for 2-(Methylsulfanyl)-1-phenylbutan-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-(Methylsulfanyl)-1-phenylbutan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylsulfanyl)-1-phenylbutan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.