CAS RN: 892549-43-8
MF-63
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250506 | 5mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS892549-43-8
- Purity/Analytical Methods: >99.0%
892549-43-8 / 2-(6-chloro-3H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile
Basic Information
CAS
892549-43-8
Multi CAS
No
Molecular Formula
C23H11CLN4
Molecular Weight
378.800000
Exact Mass
378.067224
InChI
InChI=1S/C23H11ClN4/c24-15-8-9-18-19(10-15)16-6-1-2-7-17(16)21-22(18)28-23(27-21)20-13(11-25)4-3-5-14(20)12-26/h1-10H,(H,27,28)
InChIKey
BVFLHOOKHPFDCT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
23
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
110.98
TPSA
76.26
LogP / Solubility
WLOGP
5.93
MLOGP
5.24
XLogP3
4.8
Consensus LogP
5.32
Log S (ESOL)
-6.47
Class (ESOL)
Insoluble
Log S (Ali)
-6.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
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
Yes
Log Kp (skin permeation)
-0.82
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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