5-(((4-Chlorophenyl)thio)methyl)-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 5-(((4-Chlorophenyl)thio)methyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 219765-67-0) is a chemical compound with molecular formula C10H9ClN2OS and molecular weight 240.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)sulfanylmethyl]-1,4-dihydropyrazol-5-one
Also Known As: Maybridge1_001491, 5-(((4-Chlorophenyl)thio)methyl)-2,4-dihydro-3H-pyrazol-3-one, BTB 06365, 3-{[(4-chlorophenyl)thio]methyl}-4,5-dihydro-1H-pyrazol-5-one, 3-[(4-chlorophenyl)sulfanylmethyl]-1,4-dihydropyrazol-5-one
| Molecular Formula | C10H9ClN2OS |
|---|---|
| Molecular Weight | 240.01 g/mol |
| LogP | 2.308 |
| Topological Polar Surface Area | 41.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.0124 |
| Heavy Atoms | 15 |
| Complexity | 402.38834 |
Chemical Identifiers
| CAS Number | 219765-67-0 |
|---|---|
| SMILES | C1C(=NNC1=O)CSC2=CC=C(C=C2)Cl |
Product Overview
5-(((4-Chlorophenyl)thio)methyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 219765-67-0), with molecular formula C10H9ClN2OS and molecular weight 240.01 g/mol. IUPAC: 3-[(4-chlorophenyl)sulfanylmethyl]-1,4-dihydropyrazol-5-one.
Chemical Property Profile of 5-(((4-Chlorophenyl)thio)methyl)-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 5-(((4-Chlorophenyl)thio)methyl)-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 2.308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(((4-Chlorophenyl)thio)methyl)-2,4-dihydro-3H-pyrazol-3-one. With a topological polar surface area (TPSA) of 41.46 Ų, 5-(((4-Chlorophenyl)thio)methyl)-2,4-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(((4-Chlorophenyl)thio)methyl)-2,4-dihydro-3H-pyrazol-3-one has 1 hydrogen bond donor(s) and 3 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 5-(((4-Chlorophenyl)thio)methyl)-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 5-(((4-Chlorophenyl)thio)methyl)-2,4-dihydro-3H-pyrazol-3-one is 219765-67-0.
What is the molecular formula of 5-(((4-Chlorophenyl)thio)methyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 5-(((4-Chlorophenyl)thio)methyl)-2,4-dihydro-3H-pyrazol-3-one is C10H9ClN2OS.
What is the molecular weight of 5-(((4-Chlorophenyl)thio)methyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 5-(((4-Chlorophenyl)thio)methyl)-2,4-dihydro-3H-pyrazol-3-one is 240.01 g/mol.
Where can I buy 5-(((4-Chlorophenyl)thio)methyl)-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 5-(((4-Chlorophenyl)thio)methyl)-2,4-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(((4-Chlorophenyl)thio)methyl)-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(((4-Chlorophenyl)thio)methyl)-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.