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CAS 2798-25-6 bellidifolin molecular structure lightbox
CAS RN: 2798-25-6

bellidifolin

Product Availability

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5 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260220 10mg Out of stock Inquiry
Batchno.20250819 1mg Out of stock Inquiry
Batchno.20260303 25mg Out of stock Inquiry
Batchno.20250525 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260428 5mg / 10mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS2798-25-6
  • Purity/Analytical Methods: >99.0%
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2798-25-6 / 1,5,8-trihydroxy-3-methoxyxanthen-9-one

Standard CAS: 2798-25-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2798-25-6
Multi CAS
No
Molecular Formula
C14H10O6
Molecular Weight
274.220000
Exact Mass
274.047738
InChI
InChI=1S/C14H10O6/c1-19-6-4-9(17)11-10(5-6)20-14-8(16)3-2-7(15)12(14)13(11)18/h2-5,15-17H,1H3
InChIKey
JDIORNFCMMYMLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
3
Molar refractivity
71.54
TPSA
100.13

LogP / Solubility

WLOGP
2.07
MLOGP
1.83
XLogP3
2.4
Consensus LogP
2.1
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-2.92

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
1.5

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