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CAS 1477458-14-2 2′-Bromospiro[fluorene-9,9′-xanthene] molecular structure lightbox
CAS RN: 1477458-14-2

2′-Bromospiro[fluorene-9,9′-xanthene]

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250518 1g In stock Inquiry
Batchno.20250117 25g In stock Inquiry
Batchno.20251111 5g In stock Inquiry
  • Product code: SSC-058269
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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 1477458-14-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

1477458-14-2 / 2'-bromospiro[fluorene-9,9'-xanthene]

Standard CAS: 1477458-14-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1477458-14-2
Multi CAS
No
Molecular Formula
C25H15BrO
Molecular Weight
411.300000
Exact Mass
410.030630
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=CC=CC=C5OC6=C4C=C(C=C6)Br
InChI
InChI=1S/C25H15BrO/c26-16-13-14-24-22(15-16)25(21-11-5-6-12-23(21)27-24)19-9-3-1-7-17(19)18-8-2-4-10-20(18)25/h1-15H
InChIKey
KMSXKCVWGSWZGB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
24
Fraction Csp3
0.04
H-bond acceptors
1
Molar refractivity
111.52
TPSA
9.23

LogP / Solubility

WLOGP
6.92
MLOGP
6.11
XLogP3
7
Consensus LogP
6.68
Log S (ESOL)
-7.41
Class (ESOL)
Insoluble
Log S (Ali)
-7.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.08
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)
-0.32

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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