3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 3-chlorobenzoate
TL;DR: 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 3-chlorobenzoate (CAS 851092-57-4) is a chemical compound with molecular formula C23H17ClN2O4S and molecular weight 452.06 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] 3-chlorobenzoate
Also Known As: 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 3-chlorobenzoate, 4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 3-chlorobenzoate, F0605-0315, [4-(benzenesulfonyl)-5-methyl-2-phenylpyrazol-3-yl] 3-chlorobenzoate, [4-(benzenesulfonyl)-5-methyl-2-phenyl-pyrazol-3-yl] 3-chlorobenzoate
| Molecular Formula | C23H17ClN2O4S |
|---|---|
| Molecular Weight | 452.06 g/mol |
| LogP | 4.88612 |
| Topological Polar Surface Area | 78.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.05975 |
| Heavy Atoms | 31 |
| Complexity | 1351.1091 |
Chemical Identifiers
| CAS Number | 851092-57-4 |
|---|---|
| SMILES | CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)Cl)C4=CC=CC=C4 |
Product Overview
3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 3-chlorobenzoate (CAS 851092-57-4), with molecular formula C23H17ClN2O4S and molecular weight 452.06 g/mol. IUPAC: [4-(benzenesulfonyl)-3-methyl-1-phenylpyrazol-5-yl] 3-chlorobenzoate.
Chemical Property Profile of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 3-chlorobenzoate
Property Insights of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 3-chlorobenzoate
The XLogP value of 4.88612 indicates that 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 3-chlorobenzoate 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 3-chlorobenzoate. Following Lipinski's Rule of Five, 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 3-chlorobenzoate 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 3-chlorobenzoate?
The CAS number of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 3-chlorobenzoate is 851092-57-4.
What is the molecular formula of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 3-chlorobenzoate?
The molecular formula of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 3-chlorobenzoate is C23H17ClN2O4S.
What is the molecular weight of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 3-chlorobenzoate?
The molecular weight of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 3-chlorobenzoate is 452.06 g/mol.
Where can I buy 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 3-chlorobenzoate?
You can request a quote for 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 3-chlorobenzoate 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 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.