CAS RN: 936916-08-4
4-(phenanthren-9-yl)-N-phenylaniline
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250731 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS936916-08-4
- Purity/Analytical Methods: >99.0%
936916-08-4 / 4-phenanthren-9-yl-N-phenylaniline
Basic Information
CAS
936916-08-4
Multi CAS
No
Molecular Formula
C26H19N
Molecular Weight
345.400000
Exact Mass
345.151750
InChI
InChI=1S/C26H19N/c1-2-9-21(10-3-1)27-22-16-14-19(15-17-22)26-18-20-8-4-5-11-23(20)24-12-6-7-13-25(24)26/h1-18,27H
InChIKey
UWZZQCHICHIGEA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
26
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
116.61
TPSA
12.03
LogP / Solubility
WLOGP
7.4
MLOGP
6.53
XLogP3
7.6
Consensus LogP
7.18
Log S (ESOL)
-7.16
Class (ESOL)
Insoluble
Log S (Ali)
-7.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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