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CAS 6363-86-6 9,10-dioxo-9,10-dihydroanthracene-2-carbaldehyde molecular structure lightbox
CAS RN: 6363-86-6

9,10-dioxo-9,10-dihydroanthracene-2-carbaldehyde

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250806 100mg In stock Shanghai Inquiry
Batchno.20250210 1g In stock Shenzhen Inquiry
Batchno.20260329 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260522 5g Out of stock Inquiry
  • Product code: starshine_CAS6363-86-6
  • Purity/Analytical Methods: >99.0%
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6363-86-6 / 9,10-dioxoanthracene-2-carbaldehyde

Standard CAS: 6363-86-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6363-86-6
Multi CAS
No
Molecular Formula
C15H8O3
Molecular Weight
236.220000
Exact Mass
236.047344
InChI
InChI=1S/C15H8O3/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-8H
InChIKey
XBWFYFHSIFEXMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
65.14
TPSA
51.21

LogP / Solubility

WLOGP
2.27
MLOGP
2.01
XLogP3
2.9
Consensus LogP
2.39
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

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
No
Synthetic Accessibility
1.5

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