3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl pentanoate
TL;DR: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl pentanoate (CAS 6245-36-9) is a chemical compound with molecular formula C21H21N3O6S and molecular weight 443.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-methyl-4-(4-nitrophenyl)sulfonyl-1-phenylpyrazol-5-yl] pentanoate
Also Known As: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl pentanoate, F0605-0476, [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] pentanoate, 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl pentanoate, [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] Pentanoate
| Molecular Formula | C21H21N3O6S |
|---|---|
| Molecular Weight | 443.12 g/mol |
| LogP | 4.01732 |
| Topological Polar Surface Area | 121.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.1151 |
| Heavy Atoms | 31 |
| Complexity | 1201.917 |
Chemical Identifiers
| CAS Number | 6245-36-9 |
|---|---|
| SMILES | CCCCC(=O)OC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl pentanoate (CAS 6245-36-9), with molecular formula C21H21N3O6S and molecular weight 443.12 g/mol. IUPAC: [3-methyl-4-(4-nitrophenyl)sulfonyl-1-phenylpyrazol-5-yl] pentanoate.
Chemical Property Profile of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl pentanoate
Property Insights of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl pentanoate
The XLogP value of 4.01732 indicates that 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl pentanoate 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 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl pentanoate. Following Lipinski's Rule of Five, 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl pentanoate 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 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl pentanoate?
The CAS number of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl pentanoate is 6245-36-9.
What is the molecular formula of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl pentanoate?
The molecular formula of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl pentanoate is C21H21N3O6S.
What is the molecular weight of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl pentanoate?
The molecular weight of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl pentanoate is 443.12 g/mol.
Where can I buy 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl pentanoate?
You can request a quote for 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl pentanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.