![1-{2-[(4-Chlorobenzyl)sulfanyl]-4-methyl-5-pyrimidinyl}-1-ethanone structure](/static/products/4780/478041-93-9.webp)
1-{2-[(4-Chlorobenzyl)sulfanyl]-4-methyl-5-pyrimidinyl}-1-ethanone
TL;DR: 1-{2-[(4-Chlorobenzyl)sulfanyl]-4-methyl-5-pyrimidinyl}-1-ethanone (CAS 478041-93-9) 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-[2-[(4-chlorophenyl)methylsulfanyl]-4-methylpyrimidin-5-yl]ethanone
Also Known As: 1-{2-[(4-chlorobenzyl)sulfanyl]-4-methyl-5-pyrimidinyl}-1-ethanone, 1-(2-{[(4-chlorophenyl)methyl]sulfanyl}-4-methylpyrimidin-5-yl)ethan-1-one, 1-[2-[(4-chlorophenyl)methylsulfanyl]-4-methylpyrimidin-5-yl]ethanone, 1-[2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-pyrimidin-5-yl]ethanone, 1-(2-((4-Chlorobenzyl)thio)-4-methylpyrimidin-5-yl)ethan-1-one
| Molecular Formula | C14H13ClN2OS |
|---|---|
| Molecular Weight | 292.04 g/mol |
| LogP | 3.93332 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.0437 |
| Heavy Atoms | 19 |
| Complexity | 598.895 |
Chemical Identifiers
| CAS Number | 478041-93-9 |
|---|---|
| SMILES | CC1=NC(=NC=C1C(=O)C)SCC2=CC=C(C=C2)Cl |
Product Overview
1-{2-[(4-Chlorobenzyl)sulfanyl]-4-methyl-5-pyrimidinyl}-1-ethanone (CAS 478041-93-9), with molecular formula C14H13ClN2OS and molecular weight 292.04 g/mol. IUPAC: 1-[2-[(4-chlorophenyl)methylsulfanyl]-4-methylpyrimidin-5-yl]ethanone.
Chemical Property Profile of 1-{2-[(4-Chlorobenzyl)sulfanyl]-4-methyl-5-pyrimidinyl}-1-ethanone
Property Insights of 1-{2-[(4-Chlorobenzyl)sulfanyl]-4-methyl-5-pyrimidinyl}-1-ethanone
The XLogP value of 3.93332 indicates that 1-{2-[(4-Chlorobenzyl)sulfanyl]-4-methyl-5-pyrimidinyl}-1-ethanone 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-{2-[(4-Chlorobenzyl)sulfanyl]-4-methyl-5-pyrimidinyl}-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{2-[(4-Chlorobenzyl)sulfanyl]-4-methyl-5-pyrimidinyl}-1-ethanone 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-{2-[(4-Chlorobenzyl)sulfanyl]-4-methyl-5-pyrimidinyl}-1-ethanone?
The CAS number of 1-{2-[(4-Chlorobenzyl)sulfanyl]-4-methyl-5-pyrimidinyl}-1-ethanone is 478041-93-9.
What is the molecular formula of 1-{2-[(4-Chlorobenzyl)sulfanyl]-4-methyl-5-pyrimidinyl}-1-ethanone?
The molecular formula of 1-{2-[(4-Chlorobenzyl)sulfanyl]-4-methyl-5-pyrimidinyl}-1-ethanone is C14H13ClN2OS.
What is the molecular weight of 1-{2-[(4-Chlorobenzyl)sulfanyl]-4-methyl-5-pyrimidinyl}-1-ethanone?
The molecular weight of 1-{2-[(4-Chlorobenzyl)sulfanyl]-4-methyl-5-pyrimidinyl}-1-ethanone is 292.04 g/mol.
Where can I buy 1-{2-[(4-Chlorobenzyl)sulfanyl]-4-methyl-5-pyrimidinyl}-1-ethanone?
You can request a quote for 1-{2-[(4-Chlorobenzyl)sulfanyl]-4-methyl-5-pyrimidinyl}-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-{2-[(4-Chlorobenzyl)sulfanyl]-4-methyl-5-pyrimidinyl}-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{2-[(4-Chlorobenzyl)sulfanyl]-4-methyl-5-pyrimidinyl}-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.