1-(2,4-dimethylphenyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-nitrobenzoate
TL;DR: 1-(2,4-dimethylphenyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-nitrobenzoate (CAS 851094-27-4) is a chemical compound with molecular formula C25H21N3O6S and molecular weight 491.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methylpyrazol-5-yl] 4-nitrobenzoate
Also Known As: 1-(2,4-dimethylphenyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-nitrobenzoate, 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-nitrobenzoate, F0605-0596, [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methylpyrazol-3-yl] 4-nitrobenzoate, [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methyl-pyrazol-3-yl] 4-nitrobenzoate
| Molecular Formula | C25H21N3O6S |
|---|---|
| Molecular Weight | 491.12 g/mol |
| LogP | 4.75776 |
| Topological Polar Surface Area | 121.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.1151 |
| Heavy Atoms | 35 |
| Complexity | 1542.3256 |
Chemical Identifiers
| CAS Number | 851094-27-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=C(C(=N2)C)S(=O)(=O)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C |
Product Overview
1-(2,4-dimethylphenyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-nitrobenzoate (CAS 851094-27-4), with molecular formula C25H21N3O6S and molecular weight 491.12 g/mol. IUPAC: [4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methylpyrazol-5-yl] 4-nitrobenzoate.
Chemical Property Profile of 1-(2,4-dimethylphenyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-nitrobenzoate
Property Insights of 1-(2,4-dimethylphenyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-nitrobenzoate
The XLogP value of 4.75776 indicates that 1-(2,4-dimethylphenyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-dimethylphenyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-nitrobenzoate. Following Lipinski's Rule of Five, 1-(2,4-dimethylphenyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 7 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 1-(2,4-dimethylphenyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-nitrobenzoate?
The CAS number of 1-(2,4-dimethylphenyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-nitrobenzoate is 851094-27-4.
What is the molecular formula of 1-(2,4-dimethylphenyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-nitrobenzoate?
The molecular formula of 1-(2,4-dimethylphenyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-nitrobenzoate is C25H21N3O6S.
What is the molecular weight of 1-(2,4-dimethylphenyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-nitrobenzoate?
The molecular weight of 1-(2,4-dimethylphenyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-nitrobenzoate is 491.12 g/mol.
Where can I buy 1-(2,4-dimethylphenyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-nitrobenzoate?
You can request a quote for 1-(2,4-dimethylphenyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-dimethylphenyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-dimethylphenyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.