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CAS 4321-69-1 ACID VIOLET 7 molecular structure lightbox
CAS RN: 4321-69-1

ACID VIOLET 7

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250519 250g In stock Shanghai Inquiry
Batchno.20250102 50g In stock Guangdong, Hebei Inquiry
  • Product code: starshine_CAS4321-69-1
  • Purity/Analytical Methods: >99.0%
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4321-69-1 / disodium;5-acetamido-3-[(4-acetamidophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate

Standard CAS: 4321-69-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4321-69-1
Multi CAS
Yes
Molecular Formula
C20H16N4NA2O9S2
Molecular Weight
566.500000
Exact Mass
566.015409
InChI
InChI=1S/C20H18N4O9S2.2Na/c1-10(25)21-13-3-5-14(6-4-13)23-24-19-17(35(31,32)33)8-12-7-15(34(28,29)30)9-16(22-11(2)26)18(12)20(19)27;;/h3-9,27H,1-2H3,(H,21,25)(H,22,26)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2
InChIKey
HRMOLDWRTCFZRP-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
16
Fraction Csp3
0.1
Rotatable bonds
6
H-bond acceptors
11
H-bond donors
3
Molar refractivity
120.76
TPSA
217.55

LogP / Solubility

WLOGP
-3.31
MLOGP
-2.87
XLogP3
-3.31
Consensus LogP
-3.16
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
Class (SILICOS-IT)
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)
-8.52

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
4

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