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CAS 56360-46-4 EOSIN B molecular structure lightbox
CAS RN: 56360-46-4

EOSIN B

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250727 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS56360-46-4
  • Purity/Analytical Methods: >99.0%
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56360-46-4 / 2-(4,5-dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid

Standard CAS: 56360-46-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56360-46-4
Multi CAS
Yes
Molecular Formula
C20H8BR2N2O9
Molecular Weight
580.100000
Exact Mass
579.857610
InChI
InChI=1S/C20H8Br2N2O9/c21-13-15(25)11(23(28)29)5-9-17(13)32-18-10(6-12(24(30)31)16(26)14(18)22)20(9)8-4-2-1-3-7(8)19(27)33-20/h1-6,25-26H
InChIKey
ZBQZBWKNGDEDOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
20
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
2
Molar refractivity
121.87
TPSA
174.02

LogP / Solubility

WLOGP
5.31
MLOGP
4.72
XLogP3
4.5
Consensus LogP
4.84
Log S (ESOL)
-6.97
Class (ESOL)
Insoluble
Log S (Ali)
-8.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.32
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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