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CAS 64756-87-2 6-Hydroxy-1,2,3,7-tetramethoxyxanthone molecular structure lightbox
CAS RN: 64756-87-2

6-Hydroxy-1,2,3,7-tetramethoxyxanthone

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Batchno.20250704 5mg Out of stock Inquiry
  • Product code: starshine_CAS64756-87-2
  • Purity/Analytical Methods: >99.0%
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64756-87-2 / 6-hydroxy-1,2,3,7-tetramethoxyxanthen-9-one

Standard CAS: 64756-87-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64756-87-2
Multi CAS
Yes
Molecular Formula
C17H16O7
Molecular Weight
332.300000
Exact Mass
332.089603
InChI
InChI=1S/C17H16O7/c1-20-11-5-8-10(6-9(11)18)24-12-7-13(21-2)16(22-3)17(23-4)14(12)15(8)19/h5-7,18H,1-4H3
InChIKey
MLDGGHTUGFLZII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
14
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
87.86
TPSA
87.36

LogP / Solubility

WLOGP
2.69
MLOGP
2.38
XLogP3
2.5
Consensus LogP
2.52
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly 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)
-2.84

Drug-likeness / Medicinal Chemistry

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

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