4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate
TL;DR: 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate (CAS 851081-83-9) is a chemical compound with molecular formula C21H21IN2O4S and molecular weight 524.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(benzenesulfonyl)-1-tert-butyl-3-methylpyrazol-5-yl] 2-iodobenzoate
Also Known As: 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate, F0605-0053, [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] 2-iodobenzoate, 1-(tert-butyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 2-iodobenzoate
| Molecular Formula | C21H21IN2O4S |
|---|---|
| Molecular Weight | 524.03 g/mol |
| LogP | 4.60312 |
| Topological Polar Surface Area | 78.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 524.0267 |
| Heavy Atoms | 29 |
| Complexity | 1163.137 |
Chemical Identifiers
| CAS Number | 851081-83-9 |
|---|---|
| SMILES | CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3I)C(C)(C)C |
Product Overview
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate (CAS 851081-83-9), with molecular formula C21H21IN2O4S and molecular weight 524.03 g/mol. IUPAC: [4-(benzenesulfonyl)-1-tert-butyl-3-methylpyrazol-5-yl] 2-iodobenzoate.
Chemical Property Profile of 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate
Property Insights of 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate
The XLogP value of 4.60312 indicates that 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate 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 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate. Following Lipinski's Rule of Five, 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate 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 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate?
The CAS number of 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate is 851081-83-9.
What is the molecular formula of 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate?
The molecular formula of 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate is C21H21IN2O4S.
What is the molecular weight of 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate?
The molecular weight of 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate is 524.03 g/mol.
Where can I buy 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate?
You can request a quote for 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-iodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.