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CAS 6417-85-2 Uranine K molecular structure lightbox
CAS RN: 6417-85-2

Uranine K

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  • Product code: ICTF0027
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6417-85-2 / dipotassium;3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate

Standard CAS: 6417-85-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
6417-85-2
Multi CAS
Yes
Molecular Formula
C20H10K2O5
Molecular Weight
408.500000
Exact Mass
407.980236
InChI
InChI=1S/C20H12O5.2K/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;;/h1-10,21-22H;;/q;2*+1/p-2
InChIKey
DZSPMLRDMGJVAT-UHFFFAOYSA-L

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.05
H-bond acceptors
5
Molar refractivity
83.59
TPSA
81.65

LogP / Solubility

WLOGP
-3.59
MLOGP
-3.13
XLogP3
-3.59
Consensus LogP
-3.44
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.66
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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