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CAS 848667-56-1 2-(14,15-EPOXYEICOSATRIENOYL) GLYCEROL molecular structure lightbox
CAS RN: 848667-56-1

2-(14,15-EPOXYEICOSATRIENOYL) GLYCEROL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260211 50μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS848667-56-1
  • Purity/Analytical Methods: >99.0%
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848667-56-1 / 1,3-dihydroxypropan-2-yl (5Z,8Z,11Z)-13-[(2S,3R)-3-pentyloxiran-2-yl]trideca-5,8,11-trienoate

Standard CAS: 848667-56-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
848667-56-1
Multi CAS
Yes
Molecular Formula
C23H38O5
Molecular Weight
394.500000
Exact Mass
394.271924
InChI
InChI=1S/C23H38O5/c1-2-3-12-15-21-22(28-21)16-13-10-8-6-4-5-7-9-11-14-17-23(26)27-20(18-24)19-25/h4,6-7,9-10,13,20-22,24-25H,2-3,5,8,11-12,14-19H2,1H3/b6-4-,9-7-,13-10-
InChIKey
LPMVKZXODWQHGJ-ILYOTBPNSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.7
Rotatable bonds
17
H-bond acceptors
5
H-bond donors
2
Molar refractivity
111.98
TPSA
79.29

LogP / Solubility

WLOGP
4.24
MLOGP
3.75
XLogP3
4.3
Consensus LogP
4.1
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.78
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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