![2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone structure](/static/products/7048/704876-49-3.webp)
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone
TL;DR: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone (CAS 704876-49-3) is a chemical compound with molecular formula C17H17N3OS and molecular weight 311.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone
Also Known As: CBKinase1_010725, CBKinase1_023125, BRD-K73580779-001-01-5, 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone, A3697/0156864
| Molecular Formula | C17H17N3OS |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | 3.85816 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.10922 |
| Heavy Atoms | 22 |
| Complexity | 833.9814 |
Chemical Identifiers
| CAS Number | 704876-49-3 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC(=O)C2=C(NC3=CC=CC=C32)C)C |
Product Overview
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone (CAS 704876-49-3), with molecular formula C17H17N3OS and molecular weight 311.11 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone.
Chemical Property Profile of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone
Property Insights of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone
The XLogP value of 3.85816 indicates that 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)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, 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)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 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The CAS number of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone is 704876-49-3.
What is the molecular formula of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The molecular formula of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone is C17H17N3OS.
What is the molecular weight of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The molecular weight of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone is 311.11 g/mol.
Where can I buy 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone?
You can request a quote for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-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 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.