methyl 1-(3,4-dichlorobenzyl)-1H-pyrazole-3-carboxylate
TL;DR: methyl 1-(3,4-dichlorobenzyl)-1H-pyrazole-3-carboxylate (CAS 956044-86-3) is a chemical compound with molecular formula C12H10Cl2N2O2 and molecular weight 284.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[(3,4-dichlorophenyl)methyl]pyrazole-3-carboxylate
Also Known As: methyl 1-(3,4-dichlorobenzyl)-1H-pyrazole-3-carboxylate, AB01313153-01, methyl 1-[(3,4-dichlorophenyl)methyl]pyrazole-3-carboxylate, A3794/0161103, 1H-Pyrazole-3-carboxylic acid, 1-[(3,4-dichlorophenyl)methyl]-, methyl ester
| Molecular Formula | C12H10Cl2N2O2 |
|---|---|
| Molecular Weight | 284.01 g/mol |
| LogP | 3.0248 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.01193 |
| Heavy Atoms | 18 |
| Complexity | 581.2064 |
Chemical Identifiers
| CAS Number | 956044-86-3 |
|---|---|
| SMILES | COC(=O)C1=NN(C=C1)CC2=CC(=C(C=C2)Cl)Cl |
Product Overview
methyl 1-(3,4-dichlorobenzyl)-1H-pyrazole-3-carboxylate (CAS 956044-86-3), with molecular formula C12H10Cl2N2O2 and molecular weight 284.01 g/mol. IUPAC: methyl 1-[(3,4-dichlorophenyl)methyl]pyrazole-3-carboxylate.
Chemical Property Profile of methyl 1-(3,4-dichlorobenzyl)-1H-pyrazole-3-carboxylate
Property Insights of methyl 1-(3,4-dichlorobenzyl)-1H-pyrazole-3-carboxylate
The XLogP value of 3.0248 indicates that methyl 1-(3,4-dichlorobenzyl)-1H-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, methyl 1-(3,4-dichlorobenzyl)-1H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1-(3,4-dichlorobenzyl)-1H-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 methyl 1-(3,4-dichlorobenzyl)-1H-pyrazole-3-carboxylate?
The CAS number of methyl 1-(3,4-dichlorobenzyl)-1H-pyrazole-3-carboxylate is 956044-86-3.
What is the molecular formula of methyl 1-(3,4-dichlorobenzyl)-1H-pyrazole-3-carboxylate?
The molecular formula of methyl 1-(3,4-dichlorobenzyl)-1H-pyrazole-3-carboxylate is C12H10Cl2N2O2.
What is the molecular weight of methyl 1-(3,4-dichlorobenzyl)-1H-pyrazole-3-carboxylate?
The molecular weight of methyl 1-(3,4-dichlorobenzyl)-1H-pyrazole-3-carboxylate is 284.01 g/mol.
Where can I buy methyl 1-(3,4-dichlorobenzyl)-1H-pyrazole-3-carboxylate?
You can request a quote for methyl 1-(3,4-dichlorobenzyl)-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-(3,4-dichlorobenzyl)-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(3,4-dichlorobenzyl)-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.