Ethyl 3-tert-butyl-1-(2,4,6-trimethylbenzyl)-1H-pyrazole-5-carboxylate
TL;DR: Ethyl 3-tert-butyl-1-(2,4,6-trimethylbenzyl)-1H-pyrazole-5-carboxylate (CAS 306936-99-2) is a chemical compound with molecular formula C20H28N2O2 and molecular weight 328.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxylate
Also Known As: Ethyl 3-tert-butyl-1-(2,4,6-trimethylbenzyl)-1H-pyrazole-5-carboxylate, Maybridge1_008665, 9716AD, ethyl 5-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrazole-3-carboxylate, Ethyl 3-(tert-butyl)-1-(2,4,6-trimethylbenzyl)-1H-pyrazole-5-carboxylate
| Molecular Formula | C20H28N2O2 |
|---|---|
| Molecular Weight | 328.22 g/mol |
| LogP | 4.33086 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.2151 |
| Heavy Atoms | 24 |
| Complexity | 728.47986 |
Chemical Identifiers
| CAS Number | 306936-99-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NN1CC2=C(C=C(C=C2C)C)C)C(C)(C)C |
Product Overview
Ethyl 3-tert-butyl-1-(2,4,6-trimethylbenzyl)-1H-pyrazole-5-carboxylate (CAS 306936-99-2), with molecular formula C20H28N2O2 and molecular weight 328.22 g/mol. IUPAC: ethyl 3-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxylate.
Chemical Property Profile of Ethyl 3-tert-butyl-1-(2,4,6-trimethylbenzyl)-1H-pyrazole-5-carboxylate
Property Insights of Ethyl 3-tert-butyl-1-(2,4,6-trimethylbenzyl)-1H-pyrazole-5-carboxylate
The XLogP value of 4.33086 indicates that Ethyl 3-tert-butyl-1-(2,4,6-trimethylbenzyl)-1H-pyrazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, Ethyl 3-tert-butyl-1-(2,4,6-trimethylbenzyl)-1H-pyrazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-tert-butyl-1-(2,4,6-trimethylbenzyl)-1H-pyrazole-5-carboxylate has 0 hydrogen bond donor(s) and 3 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 Ethyl 3-tert-butyl-1-(2,4,6-trimethylbenzyl)-1H-pyrazole-5-carboxylate?
The CAS number of Ethyl 3-tert-butyl-1-(2,4,6-trimethylbenzyl)-1H-pyrazole-5-carboxylate is 306936-99-2.
What is the molecular formula of Ethyl 3-tert-butyl-1-(2,4,6-trimethylbenzyl)-1H-pyrazole-5-carboxylate?
The molecular formula of Ethyl 3-tert-butyl-1-(2,4,6-trimethylbenzyl)-1H-pyrazole-5-carboxylate is C20H28N2O2.
What is the molecular weight of Ethyl 3-tert-butyl-1-(2,4,6-trimethylbenzyl)-1H-pyrazole-5-carboxylate?
The molecular weight of Ethyl 3-tert-butyl-1-(2,4,6-trimethylbenzyl)-1H-pyrazole-5-carboxylate is 328.22 g/mol.
Where can I buy Ethyl 3-tert-butyl-1-(2,4,6-trimethylbenzyl)-1H-pyrazole-5-carboxylate?
You can request a quote for Ethyl 3-tert-butyl-1-(2,4,6-trimethylbenzyl)-1H-pyrazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-tert-butyl-1-(2,4,6-trimethylbenzyl)-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-tert-butyl-1-(2,4,6-trimethylbenzyl)-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.