CAS RN: 86528-79-2
5,6-Acenaphthylenedicarbonitrile, 1,2-dihydro-
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.20250216 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS86528-79-2
- Purity/Analytical Methods: >99.0%
86528-79-2 / 1,2-dihydroacenaphthylene-5,6-dicarbonitrile
Basic Information
CAS
86528-79-2
Multi CAS
No
Molecular Formula
C14H8N2
Molecular Weight
204.230000
Exact Mass
204.068748
InChI
InChI=1S/C14H8N2/c15-7-11-5-3-9-1-2-10-4-6-12(8-16)14(11)13(9)10/h3-6H,1-2H2
InChIKey
NUULUIKXLMNARB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
60.79
TPSA
47.58
LogP / Solubility
WLOGP
2.68
MLOGP
2.36
XLogP3
2.9
Consensus LogP
2.65
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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