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CAS 65008-02-8 1,5,6-Trihydroxy-3,7-dimethoxyxanthone molecular structure lightbox
CAS RN: 65008-02-8

1,5,6-Trihydroxy-3,7-dimethoxyxanthone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251002 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS65008-02-8
  • Purity/Analytical Methods: >99.0%
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65008-02-8 / 1,5,6-trihydroxy-3,7-dimethoxyxanthen-9-one

Standard CAS: 65008-02-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65008-02-8
Multi CAS
No
Molecular Formula
C15H12O7
Molecular Weight
304.250000
Exact Mass
304.058303
InChI
InChI=1S/C15H12O7/c1-20-6-3-8(16)11-9(4-6)22-15-7(12(11)17)5-10(21-2)13(18)14(15)19/h3-5,16,18-19H,1-2H3
InChIKey
UBCXIVCXMABZNZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
14
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
3
Molar refractivity
78.09
TPSA
109.36

LogP / Solubility

WLOGP
2.08
MLOGP
1.84
XLogP3
2.4
Consensus LogP
2.11
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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