1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methoxybenzoate
TL;DR: 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methoxybenzoate (CAS 851082-52-5) is a chemical compound with molecular formula C23H26N2O5S and molecular weight 442.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-tert-butyl-3-methyl-4-(4-methylphenyl)sulfonylpyrazol-5-yl] 2-methoxybenzoate
Also Known As: VU0488540-1, 1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl 2-methoxybenzoate, F0605-0147, 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methoxybenzoate, [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonylpyrazol-3-yl] 2-methoxybenzoate
| Molecular Formula | C23H26N2O5S |
|---|---|
| Molecular Weight | 442.16 g/mol |
| LogP | 4.31554 |
| Topological Polar Surface Area | 87.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.15625 |
| Heavy Atoms | 31 |
| Complexity | 1219.843 |
Chemical Identifiers
| CAS Number | 851082-52-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)C3=CC=CC=C3OC |
Product Overview
1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methoxybenzoate (CAS 851082-52-5), with molecular formula C23H26N2O5S and molecular weight 442.16 g/mol. IUPAC: [1-tert-butyl-3-methyl-4-(4-methylphenyl)sulfonylpyrazol-5-yl] 2-methoxybenzoate.
Chemical Property Profile of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methoxybenzoate
Property Insights of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methoxybenzoate
The XLogP value of 4.31554 indicates that 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-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 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methoxybenzoate. Following Lipinski's Rule of Five, 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-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 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methoxybenzoate?
The CAS number of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methoxybenzoate is 851082-52-5.
What is the molecular formula of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methoxybenzoate?
The molecular formula of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methoxybenzoate is C23H26N2O5S.
What is the molecular weight of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methoxybenzoate?
The molecular weight of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methoxybenzoate is 442.16 g/mol.
Where can I buy 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methoxybenzoate?
You can request a quote for 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.