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CAS 36455-72-8 ALPHA-ZEARALENOL molecular structure lightbox
CAS RN: 36455-72-8

ALPHA-ZEARALENOL

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251213 10mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS36455-72-8
  • Purity/Analytical Methods: >99.0%
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36455-72-8 / (4S,8R)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one

Standard CAS: 36455-72-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36455-72-8
Multi CAS
Yes
Molecular Formula
C18H24O5
Molecular Weight
320.400000
Exact Mass
320.162374
InChI
InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14+/m0/s1
InChIKey
FPQFYIAXQDXNOR-QDKLYSGJSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
87.39
TPSA
86.99

LogP / Solubility

WLOGP
3.37
MLOGP
2.98
XLogP3
4
Consensus LogP
3.45
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5

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