1-(1h-Pyrrol-2-yl)-2-((4,5,6-trimethylpyrimidin-2-yl)thio)ethan-1-one
TL;DR: 1-(1h-Pyrrol-2-yl)-2-((4,5,6-trimethylpyrimidin-2-yl)thio)ethan-1-one (CAS 735295-43-9) is a chemical compound with molecular formula C13H15N3OS and molecular weight 261.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-pyrrol-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
Also Known As: 1-(1h-Pyrrol-2-yl)-2-((4,5,6-trimethylpyrimidin-2-yl)thio)ethan-1-one, 1-(1H-pyrrol-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
| Molecular Formula | C13H15N3OS |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 2.70496 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.0936 |
| Heavy Atoms | 18 |
| Complexity | 540.61536 |
Chemical Identifiers
| CAS Number | 735295-43-9 |
|---|---|
| SMILES | CC1=C(N=C(N=C1C)SCC(=O)C2=CC=CN2)C |
Product Overview
1-(1h-Pyrrol-2-yl)-2-((4,5,6-trimethylpyrimidin-2-yl)thio)ethan-1-one (CAS 735295-43-9), with molecular formula C13H15N3OS and molecular weight 261.09 g/mol. IUPAC: 1-(1H-pyrrol-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone.
Chemical Property Profile of 1-(1h-Pyrrol-2-yl)-2-((4,5,6-trimethylpyrimidin-2-yl)thio)ethan-1-one
Property Insights of 1-(1h-Pyrrol-2-yl)-2-((4,5,6-trimethylpyrimidin-2-yl)thio)ethan-1-one
The XLogP value of 2.70496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1h-Pyrrol-2-yl)-2-((4,5,6-trimethylpyrimidin-2-yl)thio)ethan-1-one. With a topological polar surface area (TPSA) of 58.64 Ų, 1-(1h-Pyrrol-2-yl)-2-((4,5,6-trimethylpyrimidin-2-yl)thio)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1h-Pyrrol-2-yl)-2-((4,5,6-trimethylpyrimidin-2-yl)thio)ethan-1-one 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-(1h-Pyrrol-2-yl)-2-((4,5,6-trimethylpyrimidin-2-yl)thio)ethan-1-one?
The CAS number of 1-(1h-Pyrrol-2-yl)-2-((4,5,6-trimethylpyrimidin-2-yl)thio)ethan-1-one is 735295-43-9.
What is the molecular formula of 1-(1h-Pyrrol-2-yl)-2-((4,5,6-trimethylpyrimidin-2-yl)thio)ethan-1-one?
The molecular formula of 1-(1h-Pyrrol-2-yl)-2-((4,5,6-trimethylpyrimidin-2-yl)thio)ethan-1-one is C13H15N3OS.
What is the molecular weight of 1-(1h-Pyrrol-2-yl)-2-((4,5,6-trimethylpyrimidin-2-yl)thio)ethan-1-one?
The molecular weight of 1-(1h-Pyrrol-2-yl)-2-((4,5,6-trimethylpyrimidin-2-yl)thio)ethan-1-one is 261.09 g/mol.
Where can I buy 1-(1h-Pyrrol-2-yl)-2-((4,5,6-trimethylpyrimidin-2-yl)thio)ethan-1-one?
You can request a quote for 1-(1h-Pyrrol-2-yl)-2-((4,5,6-trimethylpyrimidin-2-yl)thio)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1h-Pyrrol-2-yl)-2-((4,5,6-trimethylpyrimidin-2-yl)thio)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1h-Pyrrol-2-yl)-2-((4,5,6-trimethylpyrimidin-2-yl)thio)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.