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CAS 102587-98-4 2,7-Dibromopyrene molecular structure lightbox
CAS RN: 102587-98-4

2,7-Dibromopyrene

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250507 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20250821 10g In stock Shanghai Inquiry
Batchno.20251108 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260625 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260326 25g In stock Shanghai Inquiry
Batchno.20251215 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-003862
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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 102587-98-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

102587-98-4 / 2,7-dibromopyrene

2,7-DIBROMOPYRENE | DTXSID20545084 | RefChem:83410

Standard CAS: 102587-98-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102587-98-4
Multi CAS
No
Molecular Formula
C16H8Br2
Molecular Weight
360.040000
Exact Mass
359.897230
SMILES
C1=CC2=CC(=CC3=C2C4=C(C=C3)C=C(C=C41)Br)Br
InChI
InChI=1S/C16H8Br2/c17-13-5-9-1-2-10-6-14(18)8-12-4-3-11(7-13)15(9)16(10)12/h1-8H
InChIKey
IGTQPXMEWQTTBJ-UHFFFAOYSA-N
Synonyms
2,7-DIBROMOPYRENE DTXSID20545084 RefChem:83410 DTXCID30495869 805-786-6

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Molar refractivity
85.55
TPSA
0.0000

LogP / Solubility

WLOGP
6.11
MLOGP
5.4
XLogP3
6.4
Consensus LogP
5.97
Log S (ESOL)
-6.58
Class (ESOL)
Insoluble
Log S (Ali)
-6.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.07
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)
-0.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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