3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-methoxybenzoate
TL;DR: 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-methoxybenzoate (CAS 851092-70-1) is a chemical compound with molecular formula C24H20N2O5S and molecular weight 448.11 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] 4-methoxybenzoate
Also Known As: CBKinase1_005993, CBKinase1_018393, 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-methoxybenzoate, 4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 4-methoxybenzoate, BRD-K04172875-001-01-8
| Molecular Formula | C24H20N2O5S |
|---|---|
| Molecular Weight | 448.11 g/mol |
| LogP | 4.24132 |
| Topological Polar Surface Area | 87.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.10928 |
| Heavy Atoms | 32 |
| Complexity | 1347.0372 |
Chemical Identifiers
| CAS Number | 851092-70-1 |
|---|---|
| SMILES | CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4 |
Product Overview
3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-methoxybenzoate (CAS 851092-70-1), with molecular formula C24H20N2O5S and molecular weight 448.11 g/mol. IUPAC: [4-(benzenesulfonyl)-3-methyl-1-phenylpyrazol-5-yl] 4-methoxybenzoate.
Chemical Property Profile of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-methoxybenzoate
Property Insights of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-methoxybenzoate
The XLogP value of 4.24132 indicates that 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-methoxybenzoate 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-methoxybenzoate. Following Lipinski's Rule of Five, 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-methoxybenzoate 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-methoxybenzoate?
The CAS number of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-methoxybenzoate is 851092-70-1.
What is the molecular formula of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-methoxybenzoate?
The molecular formula of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-methoxybenzoate is C24H20N2O5S.
What is the molecular weight of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-methoxybenzoate?
The molecular weight of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-methoxybenzoate is 448.11 g/mol.
Where can I buy 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-methoxybenzoate?
You can request a quote for 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-methoxybenzoate 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-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.