4-Pyrimidin-2-ylsulfanylazetidin-2-one
TL;DR: 4-Pyrimidin-2-ylsulfanylazetidin-2-one (CAS 13921-79-4) is a chemical compound with molecular formula C7H7N3OS and molecular weight 181.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyrimidin-2-ylsulfanylazetidin-2-one
Also Known As: 4-pyrimidin-2-ylsulfanylazetidin-2-one, 2-Azetidinone, 4-pyrimidin-2-ylthio-, 2-Azetidinone,4-(2-pyrimidinylthio)-, 2-Azetidinone,4-pyrimidin-2-ylthio, 2-Azetidinone, 4-(2-pyrimidinylthio)-
| Molecular Formula | C7H7N3OS |
|---|---|
| Molecular Weight | 181.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 80.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.03099 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 13921-79-4 |
|---|---|
| SMILES | C1C(NC1=O)SC2=NC=CC=N2 |
| InChIKey | POOXSFNFZNUVME-UHFFFAOYSA-N |
Product Overview
4-Pyrimidin-2-ylsulfanylazetidin-2-one (CAS 13921-79-4), with molecular formula C7H7N3OS and molecular weight 181.03 g/mol. IUPAC: 4-pyrimidin-2-ylsulfanylazetidin-2-one.
Chemical Property Profile of 4-Pyrimidin-2-ylsulfanylazetidin-2-one
Property Insights of 4-Pyrimidin-2-ylsulfanylazetidin-2-one
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyrimidin-2-ylsulfanylazetidin-2-one. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyrimidin-2-ylsulfanylazetidin-2-one. Following Lipinski's Rule of Five, 4-Pyrimidin-2-ylsulfanylazetidin-2-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 4-Pyrimidin-2-ylsulfanylazetidin-2-one?
The CAS number of 4-Pyrimidin-2-ylsulfanylazetidin-2-one is 13921-79-4.
What is the molecular formula of 4-Pyrimidin-2-ylsulfanylazetidin-2-one?
The molecular formula of 4-Pyrimidin-2-ylsulfanylazetidin-2-one is C7H7N3OS.
What is the molecular weight of 4-Pyrimidin-2-ylsulfanylazetidin-2-one?
The molecular weight of 4-Pyrimidin-2-ylsulfanylazetidin-2-one is 181.03 g/mol.
Where can I buy 4-Pyrimidin-2-ylsulfanylazetidin-2-one?
You can request a quote for 4-Pyrimidin-2-ylsulfanylazetidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyrimidin-2-ylsulfanylazetidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyrimidin-2-ylsulfanylazetidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.