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CAS 681481-91-4 4,4′-Dibromo-1,1′-spirobiindane-7,7′-diol molecular structure lightbox
CAS RN: 681481-91-4

4,4′-Dibromo-1,1′-spirobiindane-7,7′-diol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250915 200mg In stock Shanghai Inquiry
  • Product code: SSC-177879
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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 681481-91-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

681481-91-4 / 7,7'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol

Standard CAS: 681481-91-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
681481-91-4
Multi CAS
No
Molecular Formula
C17H14BR2O2
Molecular Weight
410.100000
Exact Mass
409.934010
InChI
InChI=1S/C17H14Br2O2/c18-11-1-3-13(20)15-9(11)5-7-17(15)8-6-10-12(19)2-4-14(21)16(10)17/h1-4,20-21H,5-8H2
InChIKey
OZVMVFKUNSNXQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.29
H-bond acceptors
2
H-bond donors
2
Molar refractivity
89.04
TPSA
40.46

LogP / Solubility

WLOGP
4.8
MLOGP
4.25
XLogP3
5.5
Consensus LogP
4.85
Log S (ESOL)
-5.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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