CAS RN: 1891-19-6
1,10-Phenanthroline 1-oxide
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.20250209 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1891-19-6
- Purity/Analytical Methods: >99.0%
1891-19-6 / 1-oxido-1,10-phenanthrolin-1-ium
Basic Information
CAS
1891-19-6
Multi CAS
No
Molecular Formula
C12H8N2O
Molecular Weight
196.200000
Exact Mass
196.063663
SMILES
C1=CC2=C(C3=C(C=CC=[N+]3[O-])C=C2)N=C1
InChI
InChI=1S/C12H8N2O/c15-14-8-2-4-10-6-5-9-3-1-7-13-11(9)12(10)14/h1-8H
InChIKey
OFEFUDKSXOZQFL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
14
H-bond acceptors
2
Molar refractivity
58.21
TPSA
39.83
LogP / Solubility
WLOGP
2.02
MLOGP
1.78
XLogP3
1.5
Consensus LogP
1.77
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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