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CAS 71206-95-6 LUCIFER YELLOW CH DIPOTASSIUM SALT molecular structure lightbox
CAS RN: 71206-95-6

LUCIFER YELLOW CH DIPOTASSIUM SALT

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20251115 100mg In stock Inquiry
Batchno.20250405 25mg In stock Inquiry
Batchno.20260403 5mg Out of stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250325 100mg Out of stock Inquiry
  • Product code: starshine_CAS71206-95-6
  • Purity/Analytical Methods: >99.0%
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71206-95-6 / dipotassium;6-amino-2-(hydrazinecarbonylamino)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonate

Standard CAS: 71206-95-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71206-95-6
Multi CAS
Yes
Molecular Formula
C13H9K2N5O9S2
Molecular Weight
521.600000
Exact Mass
520.911582
InChI
InChI=1S/C13H11N5O9S2.2K/c14-10-5-1-4(28(22,23)24)2-6-9(5)7(3-8(10)29(25,26)27)12(20)18(11(6)19)17-13(21)16-15;;/h1-3H,14-15H2,(H2,16,17,21)(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
InChIKey
HCWYSCVNSCIZCN-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
10
Rotatable bonds
3
H-bond acceptors
11
H-bond donors
4
Molar refractivity
90.64
TPSA
244.95

LogP / Solubility

WLOGP
-8.08
MLOGP
-7.07
XLogP3
-8.08
Consensus LogP
-7.74
Log S (ESOL)
1.97
Class (ESOL)
Highly soluble
Log S (Ali)
2
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.29
Class (SILICOS-IT)
Highly soluble

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)
-11.64

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
2.5

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