Einecs 239-414-3
TL;DR: Einecs 239-414-3 (CAS 15394-93-1) is a chemical compound with molecular formula C16H12ClN5O4 and molecular weight 373.05777 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Also Known As: 4-[(5-Chloro-2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one, 4-((5-Chloro-2-hydroxy-3-nitrophenyl)azo)-3-methyl-1-phenyl-2-pyrazolin-5-one, 4-[(5-CHLORO-2-HYDROXY-3-NITROPHENYL)AZO]-3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE, EINECS 239-414-3
Technical Specifications
| Molecular Formula | C16H12ClN5O4 |
| Molecular Weight | 373.05777 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.05777 Da |
| Heavy Atoms | 26 |
| Complexity | 616.0 |
| SMILES | CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2O)[N+](=O)[O-])Cl)C3=CC=CC=C3 |
| InChIKey | OCHUAUMRDIMADH-UHFFFAOYSA-N |
Chemical Property Profile of Einecs 239-414-3
Property Insights of Einecs 239-414-3
The XLogP value of 3.4 indicates that Einecs 239-414-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 239-414-3. Following Lipinski's Rule of Five, Einecs 239-414-3 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Einecs 239-414-3?
The CAS number of Einecs 239-414-3 is 15394-93-1.
What is the molecular formula of Einecs 239-414-3?
The molecular formula of Einecs 239-414-3 is C16H12ClN5O4.
What is the molecular weight of Einecs 239-414-3?
The molecular weight of Einecs 239-414-3 is 373.05777 g/mol.
Where can I buy Einecs 239-414-3?
You can request a quote for Einecs 239-414-3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Einecs 239-414-3?
Yes, CoreyChem provides custom synthesis services for Einecs 239-414-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.