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CAS 508-44-1 anemonin molecular structure lightbox
CAS RN: 508-44-1

anemonin

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7 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250704 100mg Out of stock Inquiry
Batchno.20260103 10mg In stock Shanghai Inquiry
Batchno.20250315 1mg Out of stock Inquiry
Batchno.20260308 250mg In stock Shanghai Inquiry
Batchno.20260125 25mg Out of stock Inquiry
Batchno.20251127 50mg Out of stock Inquiry
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  • Product code: starshine_CAS508-44-1
  • Purity/Analytical Methods: >99.0%
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508-44-1 / 4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione

Standard CAS: 508-44-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
508-44-1
Multi CAS
Yes
Molecular Formula
C10H8O4
Molecular Weight
192.170000
Exact Mass
192.042259
InChI
InChI=1S/C10H8O4/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10/h1-4H,5-6H2
InChIKey
JLUQTCXCAFSSLD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.4
H-bond acceptors
4
Molar refractivity
45.16
TPSA
52.6

LogP / Solubility

WLOGP
0.48
MLOGP
0.42
XLogP3
0.4
Consensus LogP
0.43
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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