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CAS 6428-31-5 Direct Black 19 molecular structure lightbox
CAS RN: 6428-31-5

Direct Black 19

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260621 100g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20260429 2.5kg In stock Shanghai Inquiry
Batchno.20250524 500g In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS6428-31-5
  • Purity/Analytical Methods: >99.0%
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6428-31-5 / disodium;(6Z)-4-amino-3-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-6-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonate

Standard CAS: 6428-31-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6428-31-5
Multi CAS
Yes
Molecular Formula
C34H27N13NA2O7S2
Molecular Weight
839.800000
Exact Mass
839.139321
InChI
InChI=1S/C34H29N13O7S2.Na/c35-18-1-11-26(24(37)15-18)44-40-20-3-7-22(8-4-20)42-46-32-28(55(49,50)51)13-17-14-29(56(52,53)54)33(34(48)30(17)31(32)39)47-43-23-9-5-21(6-10-23)41-45-27-12-2-19(36)16-25(27)38;/h1-16,48H,35-39H2,(H,49,50,51)(H,52,53,54);/q;+1
InChIKey
MWHBBQJVIWCEFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
58
Aromatic heavy atom count
30
Rotatable bonds
10
H-bond acceptors
20
H-bond donors
6
Molar refractivity
207.83
TPSA
360.12

LogP / Solubility

WLOGP
0.31
MLOGP
0.35
XLogP3
0.31
Consensus LogP
0.32
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.57
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.63

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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