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CAS 2379290-24-9 1.3.6.8-tetrabromopyrene-4,5,9,10-tetraketone molecular structure lightbox
CAS RN: 2379290-24-9

1.3.6.8-tetrabromopyrene-4,5,9,10-tetraketone

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250708 100mg In stock Shanghai Inquiry
Batchno.20251231 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250716 1g In stock Shanghai Inquiry
Batchno.20250430 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260428 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS2379290-24-9
  • Purity/Analytical Methods: >99.0%
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2379290-24-9 / 1,3,6,8-tetrabromopyrene-4,5,9,10-tetrone

Standard CAS: 2379290-24-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2379290-24-9
Multi CAS
No
Molecular Formula
C16H2Br4O4
Molecular Weight
577.800000
Exact Mass
577.664560
SMILES
C1=C(C2=C3C(=C1Br)C(=O)C(=O)C4=C(C=C(C(=C43)C(=O)C2=O)Br)Br)Br
InChI
InChI=1S/C16H2Br4O4/c17-3-1-4(18)8-11-7(3)13(21)15(23)9-5(19)2-6(20)10(12(9)11)16(24)14(8)22/h1-2H
InChIKey
MZCKIQOGNXULBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
16
H-bond acceptors
4
Molar refractivity
107.51
TPSA
68.28

LogP / Solubility

WLOGP
3.9
MLOGP
3.48
XLogP3
4.4
Consensus LogP
3.93
Log S (ESOL)
-6.37
Class (ESOL)
Insoluble
Log S (Ali)
-7.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.65
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.47

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
3

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