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CAS 19643-45-9 2,6-DIBROMO-P-BENZOQUINONE molecular structure lightbox
CAS RN: 19643-45-9

2,6-DIBROMO-P-BENZOQUINONE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251110 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS19643-45-9
  • Purity/Analytical Methods: >99.0%
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19643-45-9 / 2,6-dibromocyclohexa-2,5-diene-1,4-dione

Standard CAS: 19643-45-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19643-45-9
Multi CAS
No
Molecular Formula
C6H2Br2O2
Molecular Weight
265.890000
Exact Mass
265.840110
SMILES
C1=C(C(=O)C(=CC1=O)Br)Br
InChI
InChI=1S/C6H2Br2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H
InChIKey
FGHCYIPZQUMLRQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
H-bond acceptors
2
Molar refractivity
44.03
TPSA
34.14

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
1.7
Consensus LogP
1.63
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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