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CAS 944940-90-3 7-Bromo-9,9-dimethyl-9h-fluorene-2-carboxaldehyde molecular structure lightbox
CAS RN: 944940-90-3

7-Bromo-9,9-dimethyl-9h-fluorene-2-carboxaldehyde

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251201 1g In stock Shanghai Inquiry
Batchno.20250907 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20250603 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20250212 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260602 250mg In stock Shanghai Inquiry
  • Product code: SSC-209544
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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: ＞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 944940-90-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

944940-90-3 / 7-bromo-9,9-dimethylfluorene-2-carbaldehyde

Standard CAS: 944940-90-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
944940-90-3
Multi CAS
No
Molecular Formula
C16H13BRO
Molecular Weight
301.180000
Exact Mass
300.014980
InChI
InChI=1S/C16H13BrO/c1-16(2)14-7-10(9-18)3-5-12(14)13-6-4-11(17)8-15(13)16/h3-9H,1-2H3
InChIKey
RFGCRRLPPVRIQF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
77.09
TPSA
17.07

LogP / Solubility

WLOGP
4.57
MLOGP
4.03
XLogP3
4.6
Consensus LogP
4.4
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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