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CAS 214779-03-0 9,10-bis(dibromomethylidene)anthracene molecular structure lightbox
CAS RN: 214779-03-0

9,10-bis(dibromomethylidene)anthracene

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250920 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS214779-03-0
  • Purity/Analytical Methods: >99.0%
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214779-03-0 / 9,10-bis(dibromomethylidene)anthracene

Standard CAS: 214779-03-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214779-03-0
Multi CAS
No
Molecular Formula
C16H8Br4
Molecular Weight
519.800000
Exact Mass
519.731850
SMILES
C1=CC=C2C(=C1)C(=C(Br)Br)C3=CC=CC=C3C2=C(Br)Br
InChI
InChI=1S/C16H8Br4/c17-15(18)13-9-5-1-2-6-10(9)14(16(19)20)12-8-4-3-7-11(12)13/h1-8H
InChIKey
IQAVUBHBMRSYPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
14
Molar refractivity
103.23
TPSA
0.0000

LogP / Solubility

WLOGP
5.7
MLOGP
5.06
XLogP3
6.5
Consensus LogP
5.75
Log S (ESOL)
-7.17
Class (ESOL)
Insoluble
Log S (Ali)
-7.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.84

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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