EINECS 289-048-3
TL;DR: EINECS 289-048-3 (CAS 85959-54-2) is a chemical compound with molecular formula C17H12Cl2N6O2 and molecular weight 402.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[1-(3,4-dichlorophenyl)pyrazol-3-yl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
Also Known As: EINECS 289-048-3, 5-((1-(3,4-Dichlorophenyl)-1H-pyrazol-3-yl)azo)-1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxonicotinonitrile, 5-[[1-(3,4-DICHLOROPHENYL)-1H-PYRAZOL-3-YL]AZO]-1,2-DIHYDRO-6-HYDROXY-1,4-DIMETHYL-2-OXONICOTINONITRILE, 5-[[1- -1H-pyrazol-3-yl]azo]-1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxonicotinonitrile, (5Z)-5-[[1-(3,4-dichlorophenyl)pyrazol-3-yl]hydrazinylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile
| Molecular Formula | C17H12Cl2N6O2 |
|---|---|
| Molecular Weight | 402.04 g/mol |
| LogP | 4.1789 |
| Topological Polar Surface Area | 108.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.0399 |
| Heavy Atoms | 27 |
| Complexity | 1173.3875 |
Chemical Identifiers
| CAS Number | 85959-54-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=C1C#N)O)C)N=NC2=NN(C=C2)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
EINECS 289-048-3 (CAS 85959-54-2), with molecular formula C17H12Cl2N6O2 and molecular weight 402.04 g/mol. IUPAC: 5-[[1-(3,4-dichlorophenyl)pyrazol-3-yl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile.
Chemical Property Profile of EINECS 289-048-3
Property Insights of EINECS 289-048-3
The XLogP value of 4.1789 indicates that EINECS 289-048-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.56 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 289-048-3. Following Lipinski's Rule of Five, EINECS 289-048-3 has 1 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 EINECS 289-048-3?
The CAS number of EINECS 289-048-3 is 85959-54-2.
What is the molecular formula of EINECS 289-048-3?
The molecular formula of EINECS 289-048-3 is C17H12Cl2N6O2.
What is the molecular weight of EINECS 289-048-3?
The molecular weight of EINECS 289-048-3 is 402.04 g/mol.
Where can I buy EINECS 289-048-3?
You can request a quote for EINECS 289-048-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 289-048-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 289-048-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.