Methyl 1-((3,5-dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylate
TL;DR: Methyl 1-((3,5-dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylate (CAS 1004194-72-2) is a chemical compound with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxylate
Also Known As: Methyl 1-((3,5-dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylate, methyl 1-[(3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylate, methyl 1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxylate, 1-(3,5-Dimethyl-phenoxymethyl)-1H-pyrazole-3-carboxylic acid methyl ester, methyl 1-(3,5-dimethylphenoxy)methyl-1H-pyrazole-3-carboxylate
| Molecular Formula | C14H16N2O3 |
|---|---|
| Molecular Weight | 260.12 g/mol |
| LogP | 2.32304 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.1161 |
| Heavy Atoms | 19 |
| Complexity | 569.8771 |
Chemical Identifiers
| CAS Number | 1004194-72-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OCN2C=CC(=N2)C(=O)OC)C |
Product Overview
Methyl 1-((3,5-dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylate (CAS 1004194-72-2), with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol. IUPAC: methyl 1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxylate.
Chemical Property Profile of Methyl 1-((3,5-dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylate
Property Insights of Methyl 1-((3,5-dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylate
The XLogP value of 2.32304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-((3,5-dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylate. With a topological polar surface area (TPSA) of 53.35 Ų, Methyl 1-((3,5-dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-((3,5-dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylate has 0 hydrogen bond donor(s) and 4 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 Methyl 1-((3,5-dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylate?
The CAS number of Methyl 1-((3,5-dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylate is 1004194-72-2.
What is the molecular formula of Methyl 1-((3,5-dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylate?
The molecular formula of Methyl 1-((3,5-dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylate is C14H16N2O3.
What is the molecular weight of Methyl 1-((3,5-dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylate?
The molecular weight of Methyl 1-((3,5-dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylate is 260.12 g/mol.
Where can I buy Methyl 1-((3,5-dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylate?
You can request a quote for Methyl 1-((3,5-dimethylphenoxy)methyl)-1H-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 Methyl 1-((3,5-dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-((3,5-dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.