4-(2,4-dichloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester
TL;DR: 4-(2,4-dichloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester (CAS 844443-93-2) 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.
ethyl 4-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate
Also Known As: Maybridge3_005171, IDI1_016558, BRD-K10475279-001-01-9, ethyl 4-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate, 1h-pyrazole-3-carboxylic acid,4-(2,4-dichlorophenyl)-,ethyl ester
| Molecular Formula | C12H10Cl2N2O2 |
|---|---|
| Molecular Weight | 284.01 g/mol |
| LogP | 3.5602 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.01193 |
| Heavy Atoms | 18 |
| Complexity | 581.2064 |
Chemical Identifiers
| CAS Number | 844443-93-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=NN1)C2=C(C=C(C=C2)Cl)Cl |
Product Overview
4-(2,4-dichloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester (CAS 844443-93-2), with molecular formula C12H10Cl2N2O2 and molecular weight 284.01 g/mol. IUPAC: ethyl 4-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate.
Chemical Property Profile of 4-(2,4-dichloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester
Property Insights of 4-(2,4-dichloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester
The XLogP value of 3.5602 indicates that 4-(2,4-dichloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.98 Ų, 4-(2,4-dichloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,4-dichloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester has 1 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 4-(2,4-dichloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester?
The CAS number of 4-(2,4-dichloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester is 844443-93-2.
What is the molecular formula of 4-(2,4-dichloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester?
The molecular formula of 4-(2,4-dichloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester is C12H10Cl2N2O2.
What is the molecular weight of 4-(2,4-dichloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester?
The molecular weight of 4-(2,4-dichloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester is 284.01 g/mol.
Where can I buy 4-(2,4-dichloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester?
You can request a quote for 4-(2,4-dichloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,4-dichloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-dichloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.