2-(Pyrimidin-2-ylthio)-1-(1h-pyrrol-2-yl)ethan-1-one
TL;DR: 2-(Pyrimidin-2-ylthio)-1-(1h-pyrrol-2-yl)ethan-1-one (CAS 875661-99-7) is a chemical compound with molecular formula C10H9N3OS and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrimidin-2-ylsulfanyl-1-(1H-pyrrol-2-yl)ethanone
Also Known As: 2-(Pyrimidin-2-ylthio)-1-(1h-pyrrol-2-yl)ethan-1-one, 2-pyrimidin-2-ylsulfanyl-1-(1H-pyrrol-2-yl)ethanone
| Molecular Formula | C10H9N3OS |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.7797 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.04663 |
| Heavy Atoms | 15 |
| Complexity | 427.19284 |
Chemical Identifiers
| CAS Number | 875661-99-7 |
|---|---|
| SMILES | C1=CNC(=C1)C(=O)CSC2=NC=CC=N2 |
Product Overview
2-(Pyrimidin-2-ylthio)-1-(1h-pyrrol-2-yl)ethan-1-one (CAS 875661-99-7), with molecular formula C10H9N3OS and molecular weight 219.05 g/mol. IUPAC: 2-pyrimidin-2-ylsulfanyl-1-(1H-pyrrol-2-yl)ethanone.
Chemical Property Profile of 2-(Pyrimidin-2-ylthio)-1-(1h-pyrrol-2-yl)ethan-1-one
Property Insights of 2-(Pyrimidin-2-ylthio)-1-(1h-pyrrol-2-yl)ethan-1-one
The XLogP value of 1.7797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Pyrimidin-2-ylthio)-1-(1h-pyrrol-2-yl)ethan-1-one. With a topological polar surface area (TPSA) of 58.64 Ų, 2-(Pyrimidin-2-ylthio)-1-(1h-pyrrol-2-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Pyrimidin-2-ylthio)-1-(1h-pyrrol-2-yl)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 2-(Pyrimidin-2-ylthio)-1-(1h-pyrrol-2-yl)ethan-1-one?
The CAS number of 2-(Pyrimidin-2-ylthio)-1-(1h-pyrrol-2-yl)ethan-1-one is 875661-99-7.
What is the molecular formula of 2-(Pyrimidin-2-ylthio)-1-(1h-pyrrol-2-yl)ethan-1-one?
The molecular formula of 2-(Pyrimidin-2-ylthio)-1-(1h-pyrrol-2-yl)ethan-1-one is C10H9N3OS.
What is the molecular weight of 2-(Pyrimidin-2-ylthio)-1-(1h-pyrrol-2-yl)ethan-1-one?
The molecular weight of 2-(Pyrimidin-2-ylthio)-1-(1h-pyrrol-2-yl)ethan-1-one is 219.05 g/mol.
Where can I buy 2-(Pyrimidin-2-ylthio)-1-(1h-pyrrol-2-yl)ethan-1-one?
You can request a quote for 2-(Pyrimidin-2-ylthio)-1-(1h-pyrrol-2-yl)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 2-(Pyrimidin-2-ylthio)-1-(1h-pyrrol-2-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(Pyrimidin-2-ylthio)-1-(1h-pyrrol-2-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.