1-(Indolin-1-yl)-2-(pyrimidin-2-ylthio)ethanone
TL;DR: 1-(Indolin-1-yl)-2-(pyrimidin-2-ylthio)ethanone (CAS 403834-07-1) is a chemical compound with molecular formula C14H13N3OS and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylethanone
Also Known As: F1016-0141, 1-(indolin-1-yl)-2-(pyrimidin-2-ylthio)ethanone, 1-(1-indolinyl)-2-(2-pyrimidinylthio)-1-ethanone, 1-(2,3-dihydro-1H-indol-1-yl)-2-(pyrimidin-2-ylsulfanyl)ethan-1-one, 1-(2,3-dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylethanone
| Molecular Formula | C14H13N3OS |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 2.158 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.07794 |
| Heavy Atoms | 19 |
| Complexity | 588.25476 |
Chemical Identifiers
| CAS Number | 403834-07-1 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)C(=O)CSC3=NC=CC=N3 |
Product Overview
1-(Indolin-1-yl)-2-(pyrimidin-2-ylthio)ethanone (CAS 403834-07-1), with molecular formula C14H13N3OS and molecular weight 271.08 g/mol. IUPAC: 1-(2,3-dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylethanone.
Chemical Property Profile of 1-(Indolin-1-yl)-2-(pyrimidin-2-ylthio)ethanone
Property Insights of 1-(Indolin-1-yl)-2-(pyrimidin-2-ylthio)ethanone
The XLogP value of 2.158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Indolin-1-yl)-2-(pyrimidin-2-ylthio)ethanone. With a topological polar surface area (TPSA) of 46.09 Ų, 1-(Indolin-1-yl)-2-(pyrimidin-2-ylthio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Indolin-1-yl)-2-(pyrimidin-2-ylthio)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-(Indolin-1-yl)-2-(pyrimidin-2-ylthio)ethanone?
The CAS number of 1-(Indolin-1-yl)-2-(pyrimidin-2-ylthio)ethanone is 403834-07-1.
What is the molecular formula of 1-(Indolin-1-yl)-2-(pyrimidin-2-ylthio)ethanone?
The molecular formula of 1-(Indolin-1-yl)-2-(pyrimidin-2-ylthio)ethanone is C14H13N3OS.
What is the molecular weight of 1-(Indolin-1-yl)-2-(pyrimidin-2-ylthio)ethanone?
The molecular weight of 1-(Indolin-1-yl)-2-(pyrimidin-2-ylthio)ethanone is 271.08 g/mol.
Where can I buy 1-(Indolin-1-yl)-2-(pyrimidin-2-ylthio)ethanone?
You can request a quote for 1-(Indolin-1-yl)-2-(pyrimidin-2-ylthio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Indolin-1-yl)-2-(pyrimidin-2-ylthio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Indolin-1-yl)-2-(pyrimidin-2-ylthio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.