3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-ethoxybenzoate
TL;DR: 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-ethoxybenzoate (CAS 851092-71-2) is a chemical compound with molecular formula C25H22N2O5S and molecular weight 462.12 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] 4-ethoxybenzoate
Also Known As: 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-ethoxybenzoate, 4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 4-ethoxybenzoate, F0605-0330, [4-(benzenesulfonyl)-5-methyl-2-phenylpyrazol-3-yl] 4-ethoxybenzoate, [4-(benzenesulfonyl)-5-methyl-2-phenyl-pyrazol-3-yl] 4-ethoxybenzoate
| Molecular Formula | C25H22N2O5S |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 4.63142 |
| Topological Polar Surface Area | 87.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.12494 |
| Heavy Atoms | 33 |
| Complexity | 1363.8367 |
Chemical Identifiers
| CAS Number | 851092-71-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)S(=O)(=O)C4=CC=CC=C4 |
Product Overview
3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-ethoxybenzoate (CAS 851092-71-2), with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol. IUPAC: [4-(benzenesulfonyl)-3-methyl-1-phenylpyrazol-5-yl] 4-ethoxybenzoate.
Chemical Property Profile of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-ethoxybenzoate
Property Insights of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-ethoxybenzoate
The XLogP value of 4.63142 indicates that 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-ethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-ethoxybenzoate. Following Lipinski's Rule of Five, 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-ethoxybenzoate has 0 hydrogen bond donor(s) and 6 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 4-ethoxybenzoate?
The CAS number of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-ethoxybenzoate is 851092-71-2.
What is the molecular formula of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-ethoxybenzoate?
The molecular formula of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-ethoxybenzoate is C25H22N2O5S.
What is the molecular weight of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-ethoxybenzoate?
The molecular weight of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-ethoxybenzoate is 462.12 g/mol.
Where can I buy 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-ethoxybenzoate?
You can request a quote for 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-ethoxybenzoate 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 4-ethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-ethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.