2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone
TL;DR: 2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone (CAS 393520-41-7) is a chemical compound with molecular formula C10H13N3OS and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrimidin-2-ylsulfanyl-1-pyrrolidin-1-ylethanone
Also Known As: BAS 06417222, 2-(pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone, 2-pyrimidin-2-ylsulfanyl-1-pyrrolidin-1-ylethanone, VU0494129-1, 2-pyrimidin-2-ylthio-1-pyrrolidinylethan-1-one
| Molecular Formula | C10H13N3OS |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 1.1911 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.07793 |
| Heavy Atoms | 15 |
| Complexity | 324.6992 |
Chemical Identifiers
| CAS Number | 393520-41-7 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NC=CC=N2 |
Product Overview
2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone (CAS 393520-41-7), with molecular formula C10H13N3OS and molecular weight 223.08 g/mol. IUPAC: 2-pyrimidin-2-ylsulfanyl-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone
Property Insights of 2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone
The XLogP value of 1.1911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone. With a topological polar surface area (TPSA) of 46.09 Ų, 2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)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 2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone?
The CAS number of 2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone is 393520-41-7.
What is the molecular formula of 2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone?
The molecular formula of 2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone is C10H13N3OS.
What is the molecular weight of 2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone?
The molecular weight of 2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone is 223.08 g/mol.
Where can I buy 2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone?
You can request a quote for 2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-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-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.