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CAS 6262-21-1 3,4,5,6-Tetrachlorofluorescein molecular structure lightbox
CAS RN: 6262-21-1

3,4,5,6-Tetrachlorofluorescein

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260517 1g In stock Inquiry
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  • Product code: ICTT0066
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6262-21-1 / 4,5,6,7-tetrachloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one

Standard CAS: 6262-21-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6262-21-1
Multi CAS
Yes
Molecular Formula
C20H8CL4O5
Molecular Weight
470.100000
Exact Mass
469.909634
InChI
InChI=1S/C20H8Cl4O5/c21-15-13-14(16(22)18(24)17(15)23)20(29-19(13)27)9-3-1-7(25)5-11(9)28-12-6-8(26)2-4-10(12)20/h1-6,25-26H
InChIKey
QCPFFGGFHNZBEP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.05
H-bond acceptors
5
H-bond donors
2
Molar refractivity
108.07
TPSA
75.99

LogP / Solubility

WLOGP
6.28
MLOGP
5.56
XLogP3
5.9
Consensus LogP
5.91
Log S (ESOL)
-7.17
Class (ESOL)
Insoluble
Log S (Ali)
-7.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.93
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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