3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 4-methoxybenzenesulfonate
TL;DR: 3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 4-methoxybenzenesulfonate (CAS 957510-59-7) is a chemical compound with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-methyl-2-(4-methylphenyl)pyrazol-3-yl] 4-methoxybenzenesulfonate
Also Known As: 3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 4-methoxybenzenesulfonate, AQ-390/40898097, [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] 4-methoxybenzenesulfonate
| Molecular Formula | C18H18N2O4S |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 3.26544 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.09872 |
| Heavy Atoms | 25 |
| Complexity | 974.9205 |
Chemical Identifiers
| CAS Number | 957510-59-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=CC(=N2)C)OS(=O)(=O)C3=CC=C(C=C3)OC |
Product Overview
3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 4-methoxybenzenesulfonate (CAS 957510-59-7), with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol. IUPAC: [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] 4-methoxybenzenesulfonate.
Chemical Property Profile of 3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 4-methoxybenzenesulfonate
Property Insights of 3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 4-methoxybenzenesulfonate
The XLogP value of 3.26544 indicates that 3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 4-methoxybenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 4-methoxybenzenesulfonate. Following Lipinski's Rule of Five, 3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 4-methoxybenzenesulfonate has 0 hydrogen bond donor(s) and 5 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-(4-methylphenyl)-1H-pyrazol-5-yl 4-methoxybenzenesulfonate?
The CAS number of 3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 4-methoxybenzenesulfonate is 957510-59-7.
What is the molecular formula of 3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 4-methoxybenzenesulfonate?
The molecular formula of 3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 4-methoxybenzenesulfonate is C18H18N2O4S.
What is the molecular weight of 3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 4-methoxybenzenesulfonate?
The molecular weight of 3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 4-methoxybenzenesulfonate is 358.10 g/mol.
Where can I buy 3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 4-methoxybenzenesulfonate?
You can request a quote for 3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 4-methoxybenzenesulfonate 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-(4-methylphenyl)-1H-pyrazol-5-yl 4-methoxybenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 4-methoxybenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.