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CAS 886456-80-0 2,7-Di(1-pyrenyl)-9,9′-spirobi[9H-fluorene] molecular structure lightbox
CAS RN: 886456-80-0

2,7-Di(1-pyrenyl)-9,9′-spirobi[9H-fluorene]

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250313 100mg Out of stock 5-7 business days Inquiry
Batchno.20260613 20mg In stock Shanghai, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250728 100mg In stock Inquiry
Batchno.20260422 1g In stock Inquiry
Batchno.20250521 250mg In stock Inquiry
  • Product code: SSC-199965
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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: 1g
  • Available purity: ≥98%
  • 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 886456-80-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

886456-80-0 / 2',7'-di(pyren-1-yl)-9,9'-spirobi[fluorene]

Standard CAS: 886456-80-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886456-80-0
Multi CAS
No
Molecular Formula
C57H32
Molecular Weight
716.900000
Exact Mass
716.250401
InChI
InChI=1S/C57H32/c1-3-13-49-43(11-1)44-12-2-4-14-50(44)57(49)51-31-39(41-25-19-37-17-15-33-7-5-9-35-21-29-47(41)55(37)53(33)35)23-27-45(51)46-28-24-40(32-52(46)57)42-26-20-38-18-16-34-8-6-10-36-22-30-48(42)56(38)54(34)36/h1-32H
InChIKey
MJXRNMQMLMXICM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
57
Aromatic heavy atom count
56
Fraction Csp3
0.02
Rotatable bonds
2
Molar refractivity
241.02
TPSA
0.0000

LogP / Solubility

WLOGP
15.16
MLOGP
13.4
XLogP3
15.8
Consensus LogP
14.79
Log S (ESOL)
-14.43
Class (ESOL)
Insoluble
Log S (Ali)
-16.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.14
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
3.67

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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