CAS RN: 90412-47-8
1,10-Phenanthroline-d8 96atom%D
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251226 | 25mg | In stock | Shanghai | Inquiry |
- Product code: ICTP2409
- Purity/Analytical Methods: >97.0%(HPLC)
90412-47-8 / 2,3,4,5,6,7,8,9-octadeuterio-1,10-phenanthroline
Basic Information
CAS
90412-47-8
Multi CAS
Yes
Molecular Formula
C12H8N2
Molecular Weight
188.250000
Exact Mass
188.118962
InChI
InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
InChIKey
DGEZNRSVGBDHLK-PGRXLJNUSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
14
H-bond acceptors
2
Molar refractivity
57.04
TPSA
25.78
LogP / Solubility
WLOGP
2.78
MLOGP
2.45
XLogP3
1.8
Consensus LogP
2.34
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly 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)
-1.84
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
