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CAS 1989-32-8 9-(DICYANOMETHYLENE)FLUORENE molecular structure lightbox
CAS RN: 1989-32-8

9-(DICYANOMETHYLENE)FLUORENE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250416 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1989-32-8
  • Purity/Analytical Methods: >99.0%
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1989-32-8 / 2-fluoren-9-ylidenepropanedinitrile

Standard CAS: 1989-32-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1989-32-8
Multi CAS
No
Molecular Formula
C16H8N2
Molecular Weight
228.250000
Exact Mass
228.068748
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2=C(C#N)C#N
InChI
InChI=1S/C16H8N2/c17-9-11(10-18)16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8H
InChIKey
DBJKIYVWFSACIT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
H-bond acceptors
2
Molar refractivity
69.13
TPSA
47.58

LogP / Solubility

WLOGP
3.52
MLOGP
3.1
XLogP3
2.9
Consensus LogP
3.17
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly 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)
-1.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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