ethyl 5-chloro-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate
TL;DR: ethyl 5-chloro-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate (CAS 38405-71-9) is a chemical compound with molecular formula C13H11ClN2O3 and molecular weight 278.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-chloro-4-formyl-1-phenylpyrazole-3-carboxylate
Also Known As: ethyl 5-chloro-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate, ethyl 5-chloro-4-formyl-1-phenylpyrazole-3-carboxylate
| Molecular Formula | C13H11ClN2O3 |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 2.5149 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.0458 |
| Heavy Atoms | 19 |
| Complexity | 607.85095 |
Chemical Identifiers
| CAS Number | 38405-71-9 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=C1C=O)Cl)C2=CC=CC=C2 |
Product Overview
ethyl 5-chloro-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate (CAS 38405-71-9), with molecular formula C13H11ClN2O3 and molecular weight 278.05 g/mol. IUPAC: ethyl 5-chloro-4-formyl-1-phenylpyrazole-3-carboxylate.
Chemical Property Profile of ethyl 5-chloro-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate
Property Insights of ethyl 5-chloro-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate
The XLogP value of 2.5149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-chloro-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-chloro-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-chloro-4-formyl-1-phenyl-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 ethyl 5-chloro-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate?
The CAS number of ethyl 5-chloro-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate is 38405-71-9.
What is the molecular formula of ethyl 5-chloro-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate?
The molecular formula of ethyl 5-chloro-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate is C13H11ClN2O3.
What is the molecular weight of ethyl 5-chloro-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate?
The molecular weight of ethyl 5-chloro-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate is 278.05 g/mol.
Where can I buy ethyl 5-chloro-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate?
You can request a quote for ethyl 5-chloro-4-formyl-1-phenyl-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 ethyl 5-chloro-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-chloro-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.