CAS RN: 656238-36-7
7-Bromo-9,9-dimethyl-9H-fluorene-2-carbonitrile
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.20260602 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS656238-36-7
- Purity/Analytical Methods: >99.0%
656238-36-7 / 7-bromo-9,9-dimethylfluorene-2-carbonitrile
Basic Information
CAS
656238-36-7
Multi CAS
No
Molecular Formula
BC16H12Rn
Molecular Weight
298.180000
Exact Mass
297.015310
InChI
InChI=1S/C16H12BrN/c1-16(2)14-7-10(9-18)3-5-12(14)13-6-4-11(17)8-15(13)16/h3-8H,1-2H3
InChIKey
XNBYZTWZUOOWLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.19
H-bond acceptors
1
Molar refractivity
76.42
TPSA
23.79
LogP / Solubility
WLOGP
4.63
MLOGP
4.08
XLogP3
4.8
Consensus LogP
4.5
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.25
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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