CAS RN: 13014-03-4
OXINE-COPPER
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260426 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS13014-03-4
- Purity/Analytical Methods: >99.0%
13014-03-4 / copper;bis(quinolin-8-ol)
Basic Information
CAS
13014-03-4
Multi CAS
No
Molecular Formula
C18H14CuN2O2
Molecular Weight
353.900000
Exact Mass
353.035125
SMILES
C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.[Cu]
InChI
InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;
InChIKey
IURRXCRWRKQLGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
20
H-bond acceptors
4
H-bond donors
2
Molar refractivity
86.82
TPSA
66.24
LogP / Solubility
WLOGP
3.88
MLOGP
3.43
XLogP3
3.88
Consensus LogP
3.73
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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