3-methyl-5-phenyl-4-(phenylthio)-1H-pyrazole
TL;DR: 3-methyl-5-phenyl-4-(phenylthio)-1H-pyrazole (CAS 394236-45-4) is a chemical compound with molecular formula C16H14N2S and molecular weight 266.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-phenyl-4-phenylsulfanyl-1H-pyrazole
Also Known As: 3-methyl-5-phenyl-4-(phenylthio)-1H-pyrazole, BIM-0044589.P001, 5-methyl-3-phenyl-4-phenylsulfanyl-1H-pyrazole, 3-METHYL-5-PHENYL-4-(PHENYLSULFANYL)-1H-PYRAZOLE, F0755-0027
| Molecular Formula | C16H14N2S |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | 4.53632 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.08777 |
| Heavy Atoms | 19 |
| Complexity | 659.73065 |
Chemical Identifiers
| CAS Number | 394236-45-4 |
|---|---|
| SMILES | CC1=C(C(=NN1)C2=CC=CC=C2)SC3=CC=CC=C3 |
Product Overview
3-methyl-5-phenyl-4-(phenylthio)-1H-pyrazole (CAS 394236-45-4), with molecular formula C16H14N2S and molecular weight 266.09 g/mol. IUPAC: 5-methyl-3-phenyl-4-phenylsulfanyl-1H-pyrazole.
Chemical Property Profile of 3-methyl-5-phenyl-4-(phenylthio)-1H-pyrazole
Property Insights of 3-methyl-5-phenyl-4-(phenylthio)-1H-pyrazole
The XLogP value of 4.53632 indicates that 3-methyl-5-phenyl-4-(phenylthio)-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 3-methyl-5-phenyl-4-(phenylthio)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-5-phenyl-4-(phenylthio)-1H-pyrazole has 1 hydrogen bond donor(s) and 2 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-methyl-5-phenyl-4-(phenylthio)-1H-pyrazole?
The CAS number of 3-methyl-5-phenyl-4-(phenylthio)-1H-pyrazole is 394236-45-4.
What is the molecular formula of 3-methyl-5-phenyl-4-(phenylthio)-1H-pyrazole?
The molecular formula of 3-methyl-5-phenyl-4-(phenylthio)-1H-pyrazole is C16H14N2S.
What is the molecular weight of 3-methyl-5-phenyl-4-(phenylthio)-1H-pyrazole?
The molecular weight of 3-methyl-5-phenyl-4-(phenylthio)-1H-pyrazole is 266.09 g/mol.
Where can I buy 3-methyl-5-phenyl-4-(phenylthio)-1H-pyrazole?
You can request a quote for 3-methyl-5-phenyl-4-(phenylthio)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-5-phenyl-4-(phenylthio)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-5-phenyl-4-(phenylthio)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.