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CAS 25650-68-4 Ebeiedinone molecular structure lightbox
CAS RN: 25650-68-4

Ebeiedinone

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260522 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS25650-68-4
  • Purity/Analytical Methods: >99.0%
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25650-68-4 / (1R,2S,6S,9S,10R,11S,14S,15S,18S,20S,23R,24S)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one

Standard CAS: 25650-68-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25650-68-4
Multi CAS
No
Molecular Formula
C27H43NO2
Molecular Weight
413.600000
Exact Mass
413.329380
SMILES
C[C@H]1CC[C@H]2[C@@H]([C@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C
InChI
InChI=1S/C27H43NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-25,29H,4-14H2,1-3H3/t15-,16+,17-,18+,19+,20+,21-,22+,23-,24+,25-,27+/m0/s1
InChIKey
MWBJDDYEYGDWCZ-UWGLCIHQSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.96
H-bond acceptors
3
H-bond donors
1
Molar refractivity
118.79
TPSA
40.54

LogP / Solubility

WLOGP
4.77
MLOGP
4.22
XLogP3
5.3
Consensus LogP
4.76
Log S (ESOL)
-5.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10

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