(E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole
TL;DR: (E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole (CAS 1164531-10-5) is a chemical compound with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1-[(E)-2-phenylethenyl]sulfonylpyrazole
Also Known As: (E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole, 3,5-dimethyl-1-[(E)-2-phenylethenyl]sulfonylpyrazole, 1-[((1E)-2-phenylvinyl)sulfonyl]-3,5-dimethylpyrazole, 3,5-dimethyl-1-[(2-phenylvinyl)sulfonyl]-1H-pyrazole, 3,5-dimethyl-1-{[(E)-2-phenylethenyl]sulfonyl}-1H-pyrazole
| Molecular Formula | C13H14N2O2S |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 2.34874 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0776 |
| Heavy Atoms | 18 |
| Complexity | 670.2717 |
Chemical Identifiers
| CAS Number | 1164531-10-5 |
|---|---|
| SMILES | CC1=CC(=NN1S(=O)(=O)/C=C/C2=CC=CC=C2)C |
Product Overview
(E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole (CAS 1164531-10-5), with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol. IUPAC: 3,5-dimethyl-1-[(E)-2-phenylethenyl]sulfonylpyrazole.
Chemical Property Profile of (E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole
Property Insights of (E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole
The XLogP value of 2.34874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole. With a topological polar surface area (TPSA) of 51.96 Ų, (E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole has 0 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 (E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole?
The CAS number of (E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole is 1164531-10-5.
What is the molecular formula of (E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole?
The molecular formula of (E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole is C13H14N2O2S.
What is the molecular weight of (E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole?
The molecular weight of (E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole is 262.08 g/mol.
Where can I buy (E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole?
You can request a quote for (E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for (E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.