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CAS 66019-20-3 Arsenazo I Trisodium Salt molecular structure lightbox
CAS RN: 66019-20-3

Arsenazo I Trisodium Salt

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250418 1g In stock Inquiry
Batchno.20250714 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250612 1g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250818 5g In stock Shanghai, Shandong Inquiry
  • Product code: ICTD0578
  • Purity/Analytical Methods: >90.0%(T)
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66019-20-3 / trisodium;4,5-dihydroxy-3-[[2-[hydroxy(oxido)arsoryl]phenyl]diazenyl]naphthalene-2,7-disulfonate

Standard CAS: 66019-20-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66019-20-3
Multi CAS
Yes
Molecular Formula
C16H10ASN2NA3O11S2
Molecular Weight
614.300000
Exact Mass
613.863504
InChI
InChI=1S/C16H13AsN2O11S2.3Na/c20-12-7-9(31(25,26)27)5-8-6-13(32(28,29)30)15(16(21)14(8)12)19-18-11-4-2-1-3-10(11)17(22,23)24;;;/h1-7,20-21H,(H2,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;3*+1/p-3
InChIKey
NBVFGAJJMPGDDH-UHFFFAOYSA-K

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
16
Rotatable bonds
5
H-bond acceptors
12
H-bond donors
3
Molar refractivity
102.12
TPSA
239.94

LogP / Solubility

WLOGP
-9.58
MLOGP
-8.38
XLogP3
-9.58
Consensus LogP
-9.18
Log S (ESOL)
2.38
Class (ESOL)
Highly soluble
Log S (Ali)
2.32
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.7
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)
-13.27

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
3

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