RefChem:579016
TL;DR: RefChem:579016 (CAS 68025-42-3) is a chemical compound with molecular formula C12H9ClCuN2O3 and molecular weight 326.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-chloro-2-hydroxyphenyl)diazenyl]benzene-1,3-diol;copper
Also Known As: (4-((5-Chloro-2-hydroxyphenyl)azo)benzene-1,3-diolato)copper, Copper, (4-((5-chloro-2-(hydroxy-kappaO)phenyl)azo-kappaN1)-1,3-benzenediolato(2-)-kappaO3)-, Copper, (4-(2-(5-chloro-2-(hydroxy-kappaO)phenyl)diazenyl-kappaN1)-1,3-benzenediolato(2-)-kappaO3)-, Copper, [4-[2-[5-chloro-2-(hydroxy-.kappa.O)phenyl]diazenyl-.kappa.N1]-1,3-benzenediolato(2-)-.kappa.O3]-, EINECS 268-197-8
| Molecular Formula | C12H9ClCuN2O3 |
|---|---|
| Molecular Weight | 326.96 g/mol |
| LogP | 3.87 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.95978 |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 68025-42-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)O)N=NC2=C(C=CC(=C2)Cl)O.[Cu] |
| InChIKey | DMPAVGMUMGIYQW-UHFFFAOYSA-N |
Product Overview
RefChem:579016 (CAS 68025-42-3), with molecular formula C12H9ClCuN2O3 and molecular weight 326.96 g/mol. IUPAC: 4-[(5-chloro-2-hydroxyphenyl)diazenyl]benzene-1,3-diol;copper.
Chemical Property Profile of RefChem:579016
Property Insights of RefChem:579016
The XLogP value of 3.87 indicates that RefChem:579016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:579016. Following Lipinski's Rule of Five, RefChem:579016 has 3 hydrogen bond donor(s) and 5 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:579016?
The CAS number of RefChem:579016 is 68025-42-3.
What is the molecular formula of RefChem:579016?
The molecular formula of RefChem:579016 is C12H9ClCuN2O3.
What is the molecular weight of RefChem:579016?
The molecular weight of RefChem:579016 is 326.96 g/mol.
Where can I buy RefChem:579016?
You can request a quote for RefChem:579016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579016?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.