3-Phenyl-5-((phenylsulfonyl)methyl)-1H-pyrazole
TL;DR: 3-Phenyl-5-((phenylsulfonyl)methyl)-1H-pyrazole (CAS 94012-56-3) is a chemical compound with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonylmethyl)-3-phenyl-1H-pyrazole
Also Known As: 3-Phenyl-5-((phenylsulfonyl)methyl)-1H-pyrazole, 5-(benzenesulfonylmethyl)-3-phenyl-1H-pyrazole, 3-phenyl-5-[(phenylsulfonyl)methyl]-1h-pyrazole, 5-[(Benzenesulfonyl)methyl]-3-phenyl-1H-pyrazole
| Molecular Formula | C16H14N2O2S |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.0776 |
| Heavy Atoms | 21 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 94012-56-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=C2)CS(=O)(=O)C3=CC=CC=C3 |
| InChIKey | IMDKLHNOHPCLGD-UHFFFAOYSA-N |
Product Overview
3-Phenyl-5-((phenylsulfonyl)methyl)-1H-pyrazole (CAS 94012-56-3), with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol. IUPAC: 5-(benzenesulfonylmethyl)-3-phenyl-1H-pyrazole.
Chemical Property Profile of 3-Phenyl-5-((phenylsulfonyl)methyl)-1H-pyrazole
Property Insights of 3-Phenyl-5-((phenylsulfonyl)methyl)-1H-pyrazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-5-((phenylsulfonyl)methyl)-1H-pyrazole. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenyl-5-((phenylsulfonyl)methyl)-1H-pyrazole. Following Lipinski's Rule of Five, 3-Phenyl-5-((phenylsulfonyl)methyl)-1H-pyrazole 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 3-Phenyl-5-((phenylsulfonyl)methyl)-1H-pyrazole?
The CAS number of 3-Phenyl-5-((phenylsulfonyl)methyl)-1H-pyrazole is 94012-56-3.
What is the molecular formula of 3-Phenyl-5-((phenylsulfonyl)methyl)-1H-pyrazole?
The molecular formula of 3-Phenyl-5-((phenylsulfonyl)methyl)-1H-pyrazole is C16H14N2O2S.
What is the molecular weight of 3-Phenyl-5-((phenylsulfonyl)methyl)-1H-pyrazole?
The molecular weight of 3-Phenyl-5-((phenylsulfonyl)methyl)-1H-pyrazole is 298.08 g/mol.
Where can I buy 3-Phenyl-5-((phenylsulfonyl)methyl)-1H-pyrazole?
You can request a quote for 3-Phenyl-5-((phenylsulfonyl)methyl)-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-Phenyl-5-((phenylsulfonyl)methyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-5-((phenylsulfonyl)methyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.