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Ethyl 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylate
TL;DR: Ethyl 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylate (CAS 306936-95-8) is a chemical compound with molecular formula C18H24N2O2 and molecular weight 300.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-tert-butyl-1-[(3-methylphenyl)methyl]pyrazole-5-carboxylate
Also Known As: ethyl 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylate, ETHYL 3-(TERT-BUTYL)-1-(3-METHYLBENZYL)-1H-PYRAZOLE-5-CARBOXYLATE, Ethyl 3-tert-butyl-1-(3-methylbenzyl)-1H-pyrazole-5-carboxylate, ethyl 5-tert-butyl-2-(m-tolylmethyl)pyrazole-3-carboxylate, 5-tert-butyl-2-[(3-methylphenyl)methyl]-3-pyrazolecarboxylic acid ethyl ester
| Molecular Formula | C18H24N2O2 |
|---|---|
| Molecular Weight | 300.18 g/mol |
| LogP | 3.71402 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.18378 |
| Heavy Atoms | 22 |
| Complexity | 665.9669 |
Chemical Identifiers
| CAS Number | 306936-95-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NN1CC2=CC=CC(=C2)C)C(C)(C)C |
Product Overview
Ethyl 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylate (CAS 306936-95-8), with molecular formula C18H24N2O2 and molecular weight 300.18 g/mol. IUPAC: ethyl 3-tert-butyl-1-[(3-methylphenyl)methyl]pyrazole-5-carboxylate.
Chemical Property Profile of Ethyl 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylate
Property Insights of Ethyl 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylate
The XLogP value of 3.71402 indicates that Ethyl 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-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 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-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 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylate?
The CAS number of Ethyl 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylate is 306936-95-8.
What is the molecular formula of Ethyl 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylate?
The molecular formula of Ethyl 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylate is C18H24N2O2.
What is the molecular weight of Ethyl 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylate?
The molecular weight of Ethyl 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylate is 300.18 g/mol.
Where can I buy Ethyl 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylate?
You can request a quote for Ethyl 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.