RefChem:439051
TL;DR: RefChem:439051 (CAS 1929-56-2) is a chemical compound with molecular formula C18H14ClN5O5 and molecular weight 415.06836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[(4-chloro-2-nitrophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
Also Known As: 1H-Pyrazole-3-carboxylic acid, 4-((4-chloro-2-nitrophenyl)azo)-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester, ethyl 4-[(4-chloro-2-nitrophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate, 1H-Pyrazole-3-carboxylic acid, 4-(2-(4-chloro-2-nitrophenyl)diazenyl)-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester, 4-[(4-Chloro-2-nitrophenyl)azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester, 1H-Pyrazole-3-carboxylic acid, 4-[(4-chloro-2-nitrophenyl)azo]-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester
Technical Specifications
| Molecular Formula | C18H14ClN5O5 |
| Molecular Weight | 415.06836 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.06836 Da |
| Heavy Atoms | 29 |
| Complexity | 703.0 |
| SMILES | CCOC(=O)C1=NN(C(=O)C1N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3 |
| InChIKey | XXGRQUKHXMCRNJ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:439051
Property Insights of RefChem:439051
The XLogP value of 4.1 indicates that RefChem:439051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:439051. Following Lipinski's Rule of Five, RefChem:439051 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:439051?
The CAS number of RefChem:439051 is 1929-56-2.
What is the molecular formula of RefChem:439051?
The molecular formula of RefChem:439051 is C18H14ClN5O5.
What is the molecular weight of RefChem:439051?
The molecular weight of RefChem:439051 is 415.06836 g/mol.
Where can I buy RefChem:439051?
You can request a quote for RefChem:439051 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:439051?
Yes, CoreyChem provides custom synthesis services for RefChem:439051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.