![{1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methyl 2-chlorobenzenecarboxylate structure](/static/products/3182/318247-48-2.webp)
{1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methyl 2-chlorobenzenecarboxylate
TL;DR: {1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methyl 2-chlorobenzenecarboxylate (CAS 318247-48-2) is a chemical compound with molecular formula C25H21ClN2O4S and molecular weight 480.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-methyl-5-(4-methylphenyl)sulfonyl-3-phenylpyrazol-4-yl]methyl 2-chlorobenzoate
Also Known As: {1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methyl 2-chlorobenzenecarboxylate, [1-methyl-5-(4-methylphenyl)sulfonyl-3-phenylpyrazol-4-yl]methyl 2-chlorobenzoate, [1-methyl-5-(4-methylbenzenesulfonyl)-3-phenyl-1H-pyrazol-4-yl]methyl 2-chlorobenzoate, [1-methyl-5-(4-methylbenzenesulfonyl)-3-phenyl-1H-pyrazol-4-yl]methyl2-chlorobenzoate, (1-METHYL-5-[(4-METHYLPHENYL)SULFONYL]-3-PHENYL-1H-PYRAZOL-4-YL)METHYL 2-CHLOROBENZENECARBOXYLATE
| Molecular Formula | C25H21ClN2O4S |
|---|---|
| Molecular Weight | 480.09 g/mol |
| LogP | 5.23872 |
| Topological Polar Surface Area | 78.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.09106 |
| Heavy Atoms | 33 |
| Complexity | 1412.8047 |
Chemical Identifiers
| CAS Number | 318247-48-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=NN2C)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4Cl |
Product Overview
{1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methyl 2-chlorobenzenecarboxylate (CAS 318247-48-2), with molecular formula C25H21ClN2O4S and molecular weight 480.09 g/mol. IUPAC: [1-methyl-5-(4-methylphenyl)sulfonyl-3-phenylpyrazol-4-yl]methyl 2-chlorobenzoate.
Chemical Property Profile of {1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methyl 2-chlorobenzenecarboxylate
Property Insights of {1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methyl 2-chlorobenzenecarboxylate
The XLogP value of 5.23872 indicates that {1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methyl 2-chlorobenzenecarboxylate 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 {1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methyl 2-chlorobenzenecarboxylate. Following Lipinski's Rule of Five, {1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methyl 2-chlorobenzenecarboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of {1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methyl 2-chlorobenzenecarboxylate?
The CAS number of {1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methyl 2-chlorobenzenecarboxylate is 318247-48-2.
What is the molecular formula of {1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methyl 2-chlorobenzenecarboxylate?
The molecular formula of {1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methyl 2-chlorobenzenecarboxylate is C25H21ClN2O4S.
What is the molecular weight of {1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methyl 2-chlorobenzenecarboxylate?
The molecular weight of {1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methyl 2-chlorobenzenecarboxylate is 480.09 g/mol.
Where can I buy {1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methyl 2-chlorobenzenecarboxylate?
You can request a quote for {1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methyl 2-chlorobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methyl 2-chlorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for {1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methyl 2-chlorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.