3-(Pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one
TL;DR: 3-(Pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one (CAS 219765-59-0) is a chemical compound with molecular formula C9H9N3OS and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one
Also Known As: Maybridge1_001447, 3-((pyridin-2-ylthio)methyl)-1h-pyrazol-5(4h)-one, BRD-K22313687-001-01-4, 3-(pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one
| Molecular Formula | C9H9N3OS |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 1.0496 |
| Topological Polar Surface Area | 54.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.04663 |
| Heavy Atoms | 14 |
| Complexity | 363.57962 |
Chemical Identifiers
| CAS Number | 219765-59-0 |
|---|---|
| SMILES | C1C(=NNC1=O)CSC2=CC=CC=N2 |
Product Overview
3-(Pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one (CAS 219765-59-0), with molecular formula C9H9N3OS and molecular weight 207.05 g/mol. IUPAC: 3-(pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one.
Chemical Property Profile of 3-(Pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one
Property Insights of 3-(Pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one
The XLogP value of 1.0496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one. With a topological polar surface area (TPSA) of 54.35 Ų, 3-(Pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-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 3-(Pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one?
The CAS number of 3-(Pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one is 219765-59-0.
What is the molecular formula of 3-(Pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one?
The molecular formula of 3-(Pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one is C9H9N3OS.
What is the molecular weight of 3-(Pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one?
The molecular weight of 3-(Pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one is 207.05 g/mol.
Where can I buy 3-(Pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one?
You can request a quote for 3-(Pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.