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CAS 6486-93-7 1,2,5-TRIHYDROXYANTHRAQUINONE molecular structure lightbox
CAS RN: 6486-93-7

1,2,5-TRIHYDROXYANTHRAQUINONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250830 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS6486-93-7
  • Purity/Analytical Methods: >99.0%
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6486-93-7 / 1,2,5-trihydroxyanthracene-9,10-dione

Standard CAS: 6486-93-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6486-93-7
Multi CAS
No
Molecular Formula
C14H8O5
Molecular Weight
256.210000
Exact Mass
256.037173
InChI
InChI=1S/C14H8O5/c15-8-3-1-2-6-10(8)12(17)7-4-5-9(16)14(19)11(7)13(6)18/h1-5,15-16,19H
InChIKey
FMRLRBCECZNJNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
H-bond acceptors
5
H-bond donors
3
Molar refractivity
64.74
TPSA
94.83

LogP / Solubility

WLOGP
1.58
MLOGP
1.4
XLogP3
3.4
Consensus LogP
2.13
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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