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CAS 118951-68-1 9,9′-Spirobi[9H-fluoren]-2-amine molecular structure lightbox
CAS RN: 118951-68-1

9,9′-Spirobi[9H-fluoren]-2-amine

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250214 100g Out of stock Inquiry
Batchno.20250104 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250530 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20250421 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20260423 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-019168
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 118951-68-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

118951-68-1 / 9,9'-spirobi[fluorene]-2-amine

9,9'-Spirobi[9H-fluoren]-2-amine | 9,9'-Spirobi(9H-fluoren)-2-amine | RefChem:548968

Standard CAS: 118951-68-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118951-68-1
Multi CAS
No
Molecular Formula
C25H17N
Molecular Weight
331.400000
Exact Mass
331.136100
SMILES
C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5C6=CC=CC=C46)C=C(C=C3)N
InChI
InChI=1S/C25H17N/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,26H2
InChIKey
UCFDALUXSMNRHK-UHFFFAOYSA-N
Synonyms
9,9'-Spirobi[9H-fluoren]-2-amine 9,9'-Spirobi(9H-fluoren)-2-amine RefChem:548968 835-621-3 9,9'-Spirobi[fluoren]-2-amine

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
24
Fraction Csp3
0.04
H-bond acceptors
1
H-bond donors
1
Molar refractivity
107.15
TPSA
26.02

LogP / Solubility

WLOGP
5.61
MLOGP
4.95
XLogP3
5.7
Consensus LogP
5.42
Log S (ESOL)
-6.11
Class (ESOL)
Insoluble
Log S (Ali)
-6.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.47
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
No
Log Kp (skin permeation)
-0.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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