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CAS 56752-35-3 3,9-Dibromoperylene, 98%(mixed isomer) molecular structure lightbox
CAS RN: 56752-35-3

3,9-Dibromoperylene, 98%(mixed isomer)

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8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250413 100mg In stock Shanghai, Wuhan Inquiry
Batchno.20260223 1g In stock Shanghai Inquiry
Batchno.20250305 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20250309 25g Out of stock Inquiry
Batchno.20260320 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251101 1g In stock Shandong, Guangdong Inquiry
Batchno.20260531 250mg In stock Hebei Inquiry
Batchno.20250325 5g In stock Shandong Inquiry
  • Product code: LIND887213
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56752-35-3 / 3,9-dibromoperylene

Standard CAS: 56752-35-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56752-35-3
Multi CAS
No
Molecular Formula
C20H10BR2
Molecular Weight
410.100000
Exact Mass
409.912880
InChI
InChI=1S/C20H10Br2/c21-17-9-8-14-12-4-2-6-16-18(22)10-7-13(20(12)16)11-3-1-5-15(17)19(11)14/h1-10H
InChIKey
IPLAQSRFBRURHW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
20
Molar refractivity
103.05
TPSA
0.0000

LogP / Solubility

WLOGP
7.26
MLOGP
6.42
XLogP3
7.1
Consensus LogP
6.93
Log S (ESOL)
-7.63
Class (ESOL)
Insoluble
Log S (Ali)
-8.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.35
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)
-0.07

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
3.5

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