1-(2,3-Dimethylindol-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
TL;DR: 1-(2,3-Dimethylindol-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone (CAS 380560-63-4) is a chemical compound with molecular formula C18H19N3OS and molecular weight 325.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dimethylindol-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
Also Known As: BAS 04085554, VU0098633-1, AJ-292/41080027, 1-(2,3-dimethylindol-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone, 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethanone
| Molecular Formula | C18H19N3OS |
|---|---|
| Molecular Weight | 325.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.12488 |
| Heavy Atoms | 23 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 380560-63-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC(=O)N2C(=C(C3=CC=CC=C32)C)C)C |
| InChIKey | UXHVPGZRADVSDN-UHFFFAOYSA-N |
Product Overview
1-(2,3-Dimethylindol-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone (CAS 380560-63-4), with molecular formula C18H19N3OS and molecular weight 325.12 g/mol. IUPAC: 1-(2,3-dimethylindol-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone.
Chemical Property Profile of 1-(2,3-Dimethylindol-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
Property Insights of 1-(2,3-Dimethylindol-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
The XLogP value of 4.3 indicates that 1-(2,3-Dimethylindol-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,3-Dimethylindol-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone. Following Lipinski's Rule of Five, 1-(2,3-Dimethylindol-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone 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-(2,3-Dimethylindol-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone?
The CAS number of 1-(2,3-Dimethylindol-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone is 380560-63-4.
What is the molecular formula of 1-(2,3-Dimethylindol-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone?
The molecular formula of 1-(2,3-Dimethylindol-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone is C18H19N3OS.
What is the molecular weight of 1-(2,3-Dimethylindol-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone?
The molecular weight of 1-(2,3-Dimethylindol-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone is 325.12 g/mol.
Where can I buy 1-(2,3-Dimethylindol-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone?
You can request a quote for 1-(2,3-Dimethylindol-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3-Dimethylindol-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-Dimethylindol-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.