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CAS 1499193-60-0 2-Bromo-9,9-difluoro-7-iodo-9H-fluorene molecular structure lightbox
CAS RN: 1499193-60-0

2-Bromo-9,9-difluoro-7-iodo-9H-fluorene

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260424 1g Out of stock 30 business days Inquiry
Batchno.20260116 200mg In stock Shanghai Inquiry
  • Product code: SSC-059837
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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: ≥95%
  • 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 1499193-60-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1499193-60-0 / 2-bromo-9,9-difluoro-7-iodofluorene

Standard CAS: 1499193-60-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1499193-60-0
Multi CAS
No
Molecular Formula
C13H6BrF2I
Molecular Weight
406.990000
Exact Mass
405.866570
SMILES
C1=CC2=C(C=C1Br)C(C3=C2C=CC(=C3)I)(F)F
InChI
InChI=1S/C13H6BrF2I/c14-7-1-3-9-10-4-2-8(17)6-12(10)13(15,16)11(9)5-7/h1-6H
InChIKey
DKSYLEFLMUQPDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
H-bond acceptors
2
Molar refractivity
75.29
TPSA
0.0000

LogP / Solubility

WLOGP
5.17
MLOGP
4.58
XLogP3
5.1
Consensus LogP
4.95
Log S (ESOL)
-6.15
Class (ESOL)
Insoluble
Log S (Ali)
-6.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.6
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)
-1.53

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
1.5

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] Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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