RefChem:439032
TL;DR: RefChem:439032 (CAS 2008-88-0) is a chemical compound with molecular formula C18H14Cl2N4O3 and molecular weight 404.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2,5-dichlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
Also Known As: ethyl 4-[(2,5-dichlorophenyl)azo]-4,5-dihydro-5-oxo-1-phenyl-1h-pyrazole-3-carboxylate, 4-((2,5-Dichlorophenyl)azo)-5-hydroxy-1-phenylpyrazole-3-carboxylic acid, ethyl ester, Ethyl 4-((2,5-dichlorophenyl)azo)-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate, 1H-Pyrazole-3-carboxylic acid, 4-((2,5-dichlorophenyl)azo)-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester, 1H-Pyrazole-3-carboxylic acid, 4-(2-(2,5-dichlorophenyl)diazenyl)-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester
| Molecular Formula | C18H14Cl2N4O3 |
|---|---|
| Molecular Weight | 404.04 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.04428 |
| Heavy Atoms | 27 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 2008-88-0 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C1N=NC2=C(C=CC(=C2)Cl)Cl)C3=CC=CC=C3 |
| InChIKey | WHQOVNOGONNMJB-UHFFFAOYSA-N |
Product Overview
RefChem:439032 (CAS 2008-88-0), with molecular formula C18H14Cl2N4O3 and molecular weight 404.04 g/mol. IUPAC: ethyl 4-[(2,5-dichlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate.
Chemical Property Profile of RefChem:439032
Property Insights of RefChem:439032
The XLogP value of 4.9 indicates that RefChem:439032 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:439032. Following Lipinski's Rule of Five, RefChem:439032 has 0 hydrogen bond donor(s) and 6 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 RefChem:439032?
The CAS number of RefChem:439032 is 2008-88-0.
What is the molecular formula of RefChem:439032?
The molecular formula of RefChem:439032 is C18H14Cl2N4O3.
What is the molecular weight of RefChem:439032?
The molecular weight of RefChem:439032 is 404.04 g/mol.
Where can I buy RefChem:439032?
You can request a quote for RefChem:439032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:439032?
Yes, KEHONG BIO provides custom synthesis services for RefChem:439032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.