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CAS 3547-38-4 Arsenazo I Hydrate molecular structure lightbox
CAS RN: 3547-38-4

Arsenazo I Hydrate

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251128 1g Out of stock 8-10 business days Inquiry
Batchno.20250626 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250514 1g In stock Shanghai Inquiry
  • Product code: LINA814852
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3547-38-4 / disodium;3-[(2-arsonophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonate

Standard CAS: 3547-38-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3547-38-4
Multi CAS
Yes
Molecular Formula
C16H11ASN2NA2O11S2
Molecular Weight
592.300000
Exact Mass
591.881560
InChI
InChI=1S/C16H13AsN2O11S2.2Na/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;2*+1/p-2
InChIKey
XRURKGOGGBIGRV-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
16
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
4
Molar refractivity
104.33
TPSA
237.11

LogP / Solubility

WLOGP
-5.96
MLOGP
-5.19
XLogP3
-5.96
Consensus LogP
-5.7
Log S (ESOL)
0.22
Class (ESOL)
Highly soluble
Log S (Ali)
-0.12
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.83
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)
-10.56

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
2.5

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