![methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate structure](/static/products/100/1001500-90-8.png)
methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate
TL;DR: methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate (CAS 1001500-90-8) is a chemical compound with molecular formula C12H11ClN2O3 and molecular weight 266.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxylate
Also Known As: methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate, Methyl 1-((4-chlorophenoxy)methyl)-1H-pyrazole-5-carboxylate, methyl 2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxylate, 2-(4-Chloro-phenoxymethyl)-2H-pyrazole-3-carboxylic acid methyl ester, methyl 1-[(4-chlorophenoxy)methyl]pyrazole-5-carboxylate
| Molecular Formula | C12H11ClN2O3 |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | 2.3596 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.0458 |
| Heavy Atoms | 18 |
| Complexity | 536.5105 |
Chemical Identifiers
| CAS Number | 1001500-90-8 |
|---|---|
| SMILES | COC(=O)C1=CC=NN1COC2=CC=C(C=C2)Cl |
Product Overview
methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate (CAS 1001500-90-8), with molecular formula C12H11ClN2O3 and molecular weight 266.05 g/mol. IUPAC: methyl 2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxylate.
Chemical Property Profile of methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate
Property Insights of methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate
The XLogP value of 2.3596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate. With a topological polar surface area (TPSA) of 53.35 Ų, methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-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-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate?
The CAS number of methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate is 1001500-90-8.
What is the molecular formula of methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate?
The molecular formula of methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate is C12H11ClN2O3.
What is the molecular weight of methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate?
The molecular weight of methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate is 266.05 g/mol.
Where can I buy methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate?
You can request a quote for methyl 1-[(4-chlorophenoxy)methyl]-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 methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.