![CAS 1995886-78-6 2-Chloro-9,9′-Spirobi[9H-fluorene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1995886-78-6.gif)
CAS RN: 1995886-78-6
2-Chloro-9,9′-Spirobi[9H-fluorene]
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.20250918 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1995886-78-6
- Purity/Analytical Methods: >99.0%
1995886-78-6 / 2-chloro-9,9'-spirobi[fluorene]
Basic Information
CAS
1995886-78-6
Multi CAS
No
Molecular Formula
C25H15Cl
Molecular Weight
350.800000
Exact Mass
350.086228
SMILES
C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5C6=CC=CC=C46)C=C(C=C3)Cl
InChI
InChI=1S/C25H15Cl/c26-16-13-14-20-19-9-3-6-12-23(19)25(24(20)15-16)21-10-4-1-7-17(21)18-8-2-5-11-22(18)25/h1-15H
InChIKey
IUCPHUQIHIUGEG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
24
Fraction Csp3
0.04
Molar refractivity
107.75
TPSA
0.0000
LogP / Solubility
WLOGP
6.68
MLOGP
5.9
XLogP3
7
Consensus LogP
6.53
Log S (ESOL)
-6.91
Class (ESOL)
Insoluble
Log S (Ali)
-7.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.49
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)
-0.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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