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CAS 84601-19-4 OLEYLOXYETHYL PHOSPHORYLCHOLINE molecular structure lightbox
CAS RN: 84601-19-4

OLEYLOXYETHYL PHOSPHORYLCHOLINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250509 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS84601-19-4
  • Purity/Analytical Methods: >99.0%
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84601-19-4 / 2-octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate

Standard CAS: 84601-19-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84601-19-4
Multi CAS
Yes
Molecular Formula
C25H52NO5P
Molecular Weight
477.700000
Exact Mass
477.358311
InChI
InChI=1S/C25H52NO5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-29-24-25-31-32(27,28)30-23-21-26(2,3)4/h12-13H,5-11,14-25H2,1-4H3
InChIKey
NPLMVGGTFDUQHL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.92
Rotatable bonds
24
H-bond acceptors
5
Molar refractivity
132.68
TPSA
67.82

LogP / Solubility

WLOGP
6.25
MLOGP
5.53
XLogP3
6.7
Consensus LogP
6.16
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.83
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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