3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl cinnamate
TL;DR: 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl cinnamate (CAS 851092-49-4) is a chemical compound with molecular formula C25H20N2O4S and molecular weight 444.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(benzenesulfonyl)-3-methyl-1-phenylpyrazol-5-yl] (E)-3-phenylprop-2-enoate
Also Known As: F0605-0306, 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl cinnamate, [4-(benzenesulfonyl)-5-methyl-2-phenylpyrazol-3-yl] (E)-3-phenylprop-2-enoate, 4-(BENZENESULFONYL)-3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL (2E)-3-PHENYLPROP-2-ENOATE
| Molecular Formula | C25H20N2O4S |
|---|---|
| Molecular Weight | 444.11 g/mol |
| LogP | 4.63232 |
| Topological Polar Surface Area | 78.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.11438 |
| Heavy Atoms | 32 |
| Complexity | 1361.7362 |
Chemical Identifiers
| CAS Number | 851092-49-4 |
|---|---|
| SMILES | CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl cinnamate (CAS 851092-49-4), with molecular formula C25H20N2O4S and molecular weight 444.11 g/mol. IUPAC: [4-(benzenesulfonyl)-3-methyl-1-phenylpyrazol-5-yl] (E)-3-phenylprop-2-enoate.
Chemical Property Profile of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl cinnamate
Property Insights of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl cinnamate
The XLogP value of 4.63232 indicates that 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl cinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl cinnamate. Following Lipinski's Rule of Five, 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl cinnamate has 0 hydrogen bond donor(s) and 5 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-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl cinnamate?
The CAS number of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl cinnamate is 851092-49-4.
What is the molecular formula of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl cinnamate?
The molecular formula of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl cinnamate is C25H20N2O4S.
What is the molecular weight of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl cinnamate?
The molecular weight of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl cinnamate is 444.11 g/mol.
Where can I buy 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl cinnamate?
You can request a quote for 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl cinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl cinnamate?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.