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CAS 64756-86-1 1,2,3,6,7-Pentamethoxyxanthone molecular structure lightbox
CAS RN: 64756-86-1

1,2,3,6,7-Pentamethoxyxanthone

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250810 1mg Out of stock Inquiry
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Batchno.20250423 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS64756-86-1
  • Purity/Analytical Methods: >99.0%
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64756-86-1 / 1,2,3,6,7-pentamethoxyxanthen-9-one

Standard CAS: 64756-86-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64756-86-1
Multi CAS
Yes
Molecular Formula
C18H18O7
Molecular Weight
346.300000
Exact Mass
346.105253
InChI
InChI=1S/C18H18O7/c1-20-11-6-9-10(7-12(11)21-2)25-13-8-14(22-3)17(23-4)18(24-5)15(13)16(9)19/h6-8H,1-5H3
InChIKey
OKLAFTHMEWJCKB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
14
Fraction Csp3
0.28
Rotatable bonds
5
H-bond acceptors
7
Molar refractivity
92.75
TPSA
76.36

LogP / Solubility

WLOGP
2.99
MLOGP
2.65
XLogP3
2.8
Consensus LogP
2.81
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

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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