1-(4-Hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethanone
TL;DR: 1-(4-Hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethanone (CAS 92760-85-5) is a chemical compound with molecular formula C20H22O2S and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethanone
Also Known As: 1-(4-hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethanone, 1-(4-hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethan-1-one, 1-[(2,6-Diphenyl-4-methyl-4-hydroxytetrahydro-2H-thiopyran)-3-yl]ethanone, 2-Acetyl-1,5-anhydro-2,4-dideoxy-3-C-methyl-1,5-diphenyl-1-thiopentitol, RefChem:225223
| Molecular Formula | C20H22O2S |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.13406 |
| Heavy Atoms | 23 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 92760-85-5 |
|---|---|
| SMILES | CC(=O)C1C(SC(CC1(C)O)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | SGKXKAJYNFOHAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethanone (CAS 92760-85-5), with molecular formula C20H22O2S and molecular weight 326.13 g/mol. IUPAC: 1-(4-hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethanone.
Chemical Property Profile of 1-(4-Hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethanone
Property Insights of 1-(4-Hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethanone
The XLogP value of 3.9 indicates that 1-(4-Hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethanone. Following Lipinski's Rule of Five, 1-(4-Hydroxy-4-methyl-2,6-diphenylthian-3-yl)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-4-methyl-2,6-diphenylthian-3-yl)ethanone?
The CAS number of 1-(4-Hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethanone is 92760-85-5.
What is the molecular formula of 1-(4-Hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethanone?
The molecular formula of 1-(4-Hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethanone is C20H22O2S.
What is the molecular weight of 1-(4-Hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethanone?
The molecular weight of 1-(4-Hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethanone is 326.13 g/mol.
Where can I buy 1-(4-Hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethanone?
You can request a quote for 1-(4-Hydroxy-4-methyl-2,6-diphenylthian-3-yl)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-4-methyl-2,6-diphenylthian-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Hydroxy-4-methyl-2,6-diphenylthian-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.