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CAS 50906-56-4 Arteannuin molecular structure lightbox
CAS RN: 50906-56-4

Arteannuin

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250414 100mg In stock Shanghai Inquiry
Batchno.20251226 10mg In stock Shanghai Inquiry
Batchno.20260430 25mg In stock Shanghai Inquiry
Batchno.20251126 50mg In stock Shanghai Inquiry
Batchno.20250614 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS50906-56-4
  • Purity/Analytical Methods: >99.0%
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50906-56-4 / (8R)-8,12-dimethyl-4-methylidene-2,13-dioxatetracyclo[7.5.0.01,5.012,14]tetradecan-3-one

Standard CAS: 50906-56-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50906-56-4
Multi CAS
Yes
Molecular Formula
C15H20O3
Molecular Weight
248.320000
Exact Mass
248.141245
InChI
InChI=1S/C15H20O3/c1-8-4-5-11-9(2)12(16)17-15(11)10(8)6-7-14(3)13(15)18-14/h8,10-11,13H,2,4-7H2,1,3H3/t8-,10+,11+,13-,14-,15-/m1/s1
InChIKey
QWQSMEDUZQDVLA-KPHNHPKPSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.8
H-bond acceptors
3
Molar refractivity
65.85
TPSA
38.83

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.6
Consensus LogP
2.4
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly 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)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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