![1-(4-Chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one structure](/static/products/3290/329079-58-5.webp)
1-(4-Chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one
TL;DR: 1-(4-Chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one (CAS 329079-58-5) is a chemical compound with molecular formula C14H13ClN2OS and molecular weight 292.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
Also Known As: BAS 00853803, 1-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one, 1-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone, 1-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-1-ethanone, AE-848/32307021
| Molecular Formula | C14H13ClN2OS |
|---|---|
| Molecular Weight | 292.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.0437 |
| Heavy Atoms | 19 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 329079-58-5 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC(=O)C2=CC=C(C=C2)Cl)C |
| InChIKey | GQSWRZXYRMATDC-UHFFFAOYSA-N |
Product Overview
1-(4-Chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one (CAS 329079-58-5), with molecular formula C14H13ClN2OS and molecular weight 292.04 g/mol. IUPAC: 1-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone.
Chemical Property Profile of 1-(4-Chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one
Property Insights of 1-(4-Chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one
The XLogP value of 3.9 indicates that 1-(4-Chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-2-[(4,6-dimethylpyrimidin-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-(4-Chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one?
The CAS number of 1-(4-Chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one is 329079-58-5.
What is the molecular formula of 1-(4-Chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one?
The molecular formula of 1-(4-Chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one is C14H13ClN2OS.
What is the molecular weight of 1-(4-Chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one?
The molecular weight of 1-(4-Chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one is 292.04 g/mol.
Where can I buy 1-(4-Chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one?
You can request a quote for 1-(4-Chlorophenyl)-2-[(4,6-dimethylpyrimidin-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-(4-Chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.