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CAS 35040-32-5 2,5-Dihydroxyxanthone molecular structure lightbox
CAS RN: 35040-32-5

2,5-Dihydroxyxanthone

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Batch No.PackageAvailabilityInquiry
Batchno.20260308 5mg Out of stock Inquiry
  • Product code: starshine_CAS35040-32-5
  • Purity/Analytical Methods: >99.0%
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35040-32-5 / 2,5-dihydroxyxanthen-9-one

Standard CAS: 35040-32-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35040-32-5
Multi CAS
No
Molecular Formula
C13H8O4
Molecular Weight
228.200000
Exact Mass
228.042259
InChI
InChI=1S/C13H8O4/c14-7-4-5-11-9(6-7)12(16)8-2-1-3-10(15)13(8)17-11/h1-6,14-15H
InChIKey
LXSIVSWCSPREMS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
14
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.32
TPSA
70.67

LogP / Solubility

WLOGP
2.36
MLOGP
2.08
XLogP3
2.3
Consensus LogP
2.25
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
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)
-2.44

Drug-likeness / Medicinal Chemistry

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

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