1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfanyl)-1-ethanone
TL;DR: 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfanyl)-1-ethanone (CAS 866136-21-2) is a chemical compound with molecular formula C16H16O2S and molecular weight 272.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hydroxy-3,5-dimethylphenyl)-2-phenylsulfanylethanone
Also Known As: 1-(4-hydroxy-3,5-dimethylphenyl)-2-(phenylsulfanyl)-1-ethanone, 1-(4-hydroxy-3,5-dimethylphenyl)-2-(phenylsulfanyl)ethan-1-one, 1-(4-hydroxy-3,5-dimethylphenyl)-2-phenylsulfanylethanone, 1-(4-hydroxy-3,5-dimethyl-phenyl)-2-phenylsulfanyl-ethanone
| Molecular Formula | C16H16O2S |
|---|---|
| Molecular Weight | 272.09 g/mol |
| LogP | 3.98404 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.0871 |
| Heavy Atoms | 19 |
| Complexity | 567.948 |
Chemical Identifiers
| CAS Number | 866136-21-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C)C(=O)CSC2=CC=CC=C2 |
Product Overview
1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfanyl)-1-ethanone (CAS 866136-21-2), with molecular formula C16H16O2S and molecular weight 272.09 g/mol. IUPAC: 1-(4-hydroxy-3,5-dimethylphenyl)-2-phenylsulfanylethanone.
Chemical Property Profile of 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfanyl)-1-ethanone
Property Insights of 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfanyl)-1-ethanone
The XLogP value of 3.98404 indicates that 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfanyl)-1-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfanyl)-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfanyl)-1-ethanone has 1 hydrogen bond donor(s) and 3 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-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfanyl)-1-ethanone?
The CAS number of 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfanyl)-1-ethanone is 866136-21-2.
What is the molecular formula of 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfanyl)-1-ethanone?
The molecular formula of 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfanyl)-1-ethanone is C16H16O2S.
What is the molecular weight of 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfanyl)-1-ethanone?
The molecular weight of 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfanyl)-1-ethanone is 272.09 g/mol.
Where can I buy 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfanyl)-1-ethanone?
You can request a quote for 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfanyl)-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfanyl)-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfanyl)-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.