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1-(2-methyl-1H-indol-3-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone
TL;DR: 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone (CAS 689751-31-3) is a chemical compound with molecular formula C16H15N3OS and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-1H-indol-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
Also Known As: BAS 06911131, BRD-K72229978-001-01-9, 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone, 1-(2-methylindol-3-yl)-2-(4-methylpyrimidin-2-ylthio)ethan-1-one, 1-(2-methyl-1H-indol-3-yl)-2-((4-methylpyrimidin-2-yl)thio)ethanone
| Molecular Formula | C16H15N3OS |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 3.54974 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.0936 |
| Heavy Atoms | 21 |
| Complexity | 810.1422 |
Chemical Identifiers
| CAS Number | 689751-31-3 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC(=O)C2=C(NC3=CC=CC=C32)C |
Product Overview
1-(2-methyl-1H-indol-3-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone (CAS 689751-31-3), with molecular formula C16H15N3OS and molecular weight 297.09 g/mol. IUPAC: 1-(2-methyl-1H-indol-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone.
Chemical Property Profile of 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone
Property Insights of 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone
The XLogP value of 3.54974 indicates that 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone has 1 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-methyl-1H-indol-3-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone?
The CAS number of 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone is 689751-31-3.
What is the molecular formula of 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone?
The molecular formula of 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone is C16H15N3OS.
What is the molecular weight of 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone?
The molecular weight of 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone is 297.09 g/mol.
Where can I buy 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone?
You can request a quote for 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]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-methyl-1H-indol-3-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.