1-(tert-butyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 1-naphthoate
TL;DR: 1-(tert-butyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 1-naphthoate (CAS 851082-02-5) is a chemical compound with molecular formula C25H24N2O4S and molecular weight 448.15 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] naphthalene-1-carboxylate
Also Known As: VU0109924-2, F0605-0081, 1-(tert-butyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 1-naphthoate, [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] naphthalene-1-carboxylate, [4-(benzenesulfonyl)-5-methyl-2-tert-butyl-pyrazol-3-yl] Naphthalene-1-carboxylate
| Molecular Formula | C25H24N2O4S |
|---|---|
| Molecular Weight | 448.15 g/mol |
| LogP | 5.15172 |
| Topological Polar Surface Area | 78.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.1457 |
| Heavy Atoms | 32 |
| Complexity | 1410.3567 |
Chemical Identifiers
| CAS Number | 851082-02-5 |
|---|---|
| SMILES | CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC4=CC=CC=C43)C(C)(C)C |
Product Overview
1-(tert-butyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 1-naphthoate (CAS 851082-02-5), with molecular formula C25H24N2O4S and molecular weight 448.15 g/mol. IUPAC: [4-(benzenesulfonyl)-1-tert-butyl-3-methylpyrazol-5-yl] naphthalene-1-carboxylate.
Chemical Property Profile of 1-(tert-butyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 1-naphthoate
Property Insights of 1-(tert-butyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 1-naphthoate
The XLogP value of 5.15172 indicates that 1-(tert-butyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 1-naphthoate 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-(tert-butyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 1-naphthoate. Following Lipinski's Rule of Five, 1-(tert-butyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 1-naphthoate 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-(tert-butyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 1-naphthoate?
The CAS number of 1-(tert-butyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 1-naphthoate is 851082-02-5.
What is the molecular formula of 1-(tert-butyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 1-naphthoate?
The molecular formula of 1-(tert-butyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 1-naphthoate is C25H24N2O4S.
What is the molecular weight of 1-(tert-butyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 1-naphthoate?
The molecular weight of 1-(tert-butyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 1-naphthoate is 448.15 g/mol.
Where can I buy 1-(tert-butyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 1-naphthoate?
You can request a quote for 1-(tert-butyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 1-naphthoate 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-(phenylsulfonyl)-1H-pyrazol-5-yl 1-naphthoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(tert-butyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 1-naphthoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.