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CAS 69441-09-4 1-PALMITOYL-2-MYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE molecular structure lightbox
CAS RN: 69441-09-4

1-PALMITOYL-2-MYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260107 5mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS69441-09-4
  • Purity/Analytical Methods: >99.0%
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69441-09-4 / (3-hexadecanoyloxy-2-tetradecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate

Standard CAS: 69441-09-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69441-09-4
Multi CAS
Yes
Molecular Formula
C38H76NO8P
Molecular Weight
706.000000
Exact Mass
705.530855
InChI
InChI=1S/C38H76NO8P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/t36-/m1/s1
InChIKey
UIXXHROAQSBBOV-PSXMRANNSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Fraction Csp3
0.95
Rotatable bonds
36
H-bond acceptors
8
Molar refractivity
194.64
TPSA
111.19

LogP / Solubility

WLOGP
9.83
MLOGP
8.71
XLogP3
12.4
Consensus LogP
10.31
Log S (ESOL)
-8.04
Class (ESOL)
Insoluble
Log S (Ali)
-12.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.05

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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