3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 2-phenoxypropanoate
TL;DR: 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 2-phenoxypropanoate (CAS 851082-84-3) 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] 2-phenoxypropanoate
Also Known As: 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 2-phenoxypropanoate, [4-(benzenesulfonyl)-5-methyl-2-phenylpyrazol-3-yl] 2-phenoxypropanoate, F0605-0287, [4-(benzenesulfonyl)-5-methyl-2-phenyl-pyrazol-3-yl] 2-phenoxypropanoate, 4-(BENZENESULFONYL)-3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL 2-PHENOXYPROPANOATE
| Molecular Formula | C25H22N2O5S |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 4.38642 |
| 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 | 1352.1998 |
Chemical Identifiers
| CAS Number | 851082-84-3 |
|---|---|
| SMILES | CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C(C)OC3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 2-phenoxypropanoate (CAS 851082-84-3), with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol. IUPAC: [4-(benzenesulfonyl)-3-methyl-1-phenylpyrazol-5-yl] 2-phenoxypropanoate.
Chemical Property Profile of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 2-phenoxypropanoate
Property Insights of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 2-phenoxypropanoate
The XLogP value of 4.38642 indicates that 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 2-phenoxypropanoate 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 2-phenoxypropanoate. Following Lipinski's Rule of Five, 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 2-phenoxypropanoate 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 2-phenoxypropanoate?
The CAS number of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 2-phenoxypropanoate is 851082-84-3.
What is the molecular formula of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 2-phenoxypropanoate?
The molecular formula of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 2-phenoxypropanoate is C25H22N2O5S.
What is the molecular weight of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 2-phenoxypropanoate?
The molecular weight of 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 2-phenoxypropanoate is 462.12 g/mol.
Where can I buy 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 2-phenoxypropanoate?
You can request a quote for 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 2-phenoxypropanoate 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 2-phenoxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1-phenyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 2-phenoxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.