CAS RN: 312612-61-6
9-IODO-10-PHENYLPHENANTHRENE
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.20251103 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS312612-61-6
- Purity/Analytical Methods: >99.0%
312612-61-6 / 9-iodo-10-phenylphenanthrene
Basic Information
CAS
312612-61-6
Multi CAS
No
Molecular Formula
C20H13I
Molecular Weight
380.200000
Exact Mass
380.006200
InChI
InChI=1S/C20H13I/c21-20-18-13-7-5-11-16(18)15-10-4-6-12-17(15)19(20)14-8-2-1-3-9-14/h1-13H
InChIKey
DLMIWIDZMSLNNJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
20
Rotatable bonds
1
Molar refractivity
99.61
TPSA
0.0000
LogP / Solubility
WLOGP
6.26
MLOGP
5.53
XLogP3
6.7
Consensus LogP
6.16
Log S (ESOL)
-6.78
Class (ESOL)
Insoluble
Log S (Ali)
-7.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.45
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.59
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
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