![1-(3,4-Dimethylphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one structure](/static/products/7123/712308-37-7.webp)
1-(3,4-Dimethylphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one
TL;DR: 1-(3,4-Dimethylphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one (CAS 712308-37-7) is a chemical compound with molecular formula C20H18N2OS and molecular weight 334.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)-2-(4-phenylpyrimidin-2-yl)sulfanylethanone
Also Known As: 1-(3,4-dimethylphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one, 1-(3,4-dimethylphenyl)-2-(4-phenylpyrimidin-2-yl)sulfanylethanone, 1-(3,4-dimethylphenyl)-2-(4-phenylpyrimidin-2-ylthio)ethan-1-one, 1-(3,4-dimethylphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanyl]ethanone
| Molecular Formula | C20H18N2OS |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | 4.73544 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.11398 |
| Heavy Atoms | 24 |
| Complexity | 862.52264 |
Chemical Identifiers
| CAS Number | 712308-37-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CC=C3)C |
Product Overview
1-(3,4-Dimethylphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one (CAS 712308-37-7), with molecular formula C20H18N2OS and molecular weight 334.11 g/mol. IUPAC: 1-(3,4-dimethylphenyl)-2-(4-phenylpyrimidin-2-yl)sulfanylethanone.
Chemical Property Profile of 1-(3,4-Dimethylphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one
Property Insights of 1-(3,4-Dimethylphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one
The XLogP value of 4.73544 indicates that 1-(3,4-Dimethylphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, 1-(3,4-Dimethylphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dimethylphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one has 0 hydrogen bond donor(s) and 4 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-(3,4-Dimethylphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one?
The CAS number of 1-(3,4-Dimethylphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one is 712308-37-7.
What is the molecular formula of 1-(3,4-Dimethylphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one?
The molecular formula of 1-(3,4-Dimethylphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one is C20H18N2OS.
What is the molecular weight of 1-(3,4-Dimethylphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one?
The molecular weight of 1-(3,4-Dimethylphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one is 334.11 g/mol.
Where can I buy 1-(3,4-Dimethylphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one?
You can request a quote for 1-(3,4-Dimethylphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dimethylphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethylphenyl)-2-[(4-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.