5-Hydroxy-4-((o-nitrophenyl)azo)-1-phenylpyrazole-3-carboxylic acid, ethyl ester
TL;DR: 5-Hydroxy-4-((o-nitrophenyl)azo)-1-phenylpyrazole-3-carboxylic acid, ethyl ester (CAS 68213-91-2) is a chemical compound with molecular formula C18H15N5O5 and molecular weight 381.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2-nitrophenyl)diazenyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxylate
Also Known As: 5-Hydroxy-4-((o-nitrophenyl)azo)-1-phenylpyrazole-3-carboxylic acid, ethyl ester, 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-((2-nitrophenyl)azo)-5-oxo-1-phenyl-, ethyl ester, 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-(2-(2-nitrophenyl)diazenyl)-5-oxo-1-phenyl-, ethyl ester, 1H-Pyrazole-3-carboxylic acid, 5-hydroxy-4-[(2-nitrophenyl)azo]-1-phenyl-, ethyl ester, Ethyl 4,5-dihydro-4-((2-nitrophenyl)azo)-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate
| Molecular Formula | C18H15N5O5 |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.10733 |
| Heavy Atoms | 28 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 68213-91-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=CC=CC=C3[N+](=O)[O-] |
| InChIKey | INZDQLZFTOZXGI-UHFFFAOYSA-N |
Product Overview
5-Hydroxy-4-((o-nitrophenyl)azo)-1-phenylpyrazole-3-carboxylic acid, ethyl ester (CAS 68213-91-2), with molecular formula C18H15N5O5 and molecular weight 381.11 g/mol. IUPAC: ethyl 4-[(2-nitrophenyl)diazenyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxylate.
Chemical Property Profile of 5-Hydroxy-4-((o-nitrophenyl)azo)-1-phenylpyrazole-3-carboxylic acid, ethyl ester
Property Insights of 5-Hydroxy-4-((o-nitrophenyl)azo)-1-phenylpyrazole-3-carboxylic acid, ethyl ester
The XLogP value of 3.7 indicates that 5-Hydroxy-4-((o-nitrophenyl)azo)-1-phenylpyrazole-3-carboxylic acid, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxy-4-((o-nitrophenyl)azo)-1-phenylpyrazole-3-carboxylic acid, ethyl ester. Following Lipinski's Rule of Five, 5-Hydroxy-4-((o-nitrophenyl)azo)-1-phenylpyrazole-3-carboxylic acid, ethyl ester has 1 hydrogen bond donor(s) and 8 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 5-Hydroxy-4-((o-nitrophenyl)azo)-1-phenylpyrazole-3-carboxylic acid, ethyl ester?
The CAS number of 5-Hydroxy-4-((o-nitrophenyl)azo)-1-phenylpyrazole-3-carboxylic acid, ethyl ester is 68213-91-2.
What is the molecular formula of 5-Hydroxy-4-((o-nitrophenyl)azo)-1-phenylpyrazole-3-carboxylic acid, ethyl ester?
The molecular formula of 5-Hydroxy-4-((o-nitrophenyl)azo)-1-phenylpyrazole-3-carboxylic acid, ethyl ester is C18H15N5O5.
What is the molecular weight of 5-Hydroxy-4-((o-nitrophenyl)azo)-1-phenylpyrazole-3-carboxylic acid, ethyl ester?
The molecular weight of 5-Hydroxy-4-((o-nitrophenyl)azo)-1-phenylpyrazole-3-carboxylic acid, ethyl ester is 381.11 g/mol.
Where can I buy 5-Hydroxy-4-((o-nitrophenyl)azo)-1-phenylpyrazole-3-carboxylic acid, ethyl ester?
You can request a quote for 5-Hydroxy-4-((o-nitrophenyl)azo)-1-phenylpyrazole-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 5-Hydroxy-4-((o-nitrophenyl)azo)-1-phenylpyrazole-3-carboxylic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-4-((o-nitrophenyl)azo)-1-phenylpyrazole-3-carboxylic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.