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CAS 69525-80-0 1-myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine molecular structure lightbox
CAS RN: 69525-80-0

1-myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250128 25mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS69525-80-0
  • Purity/Analytical Methods: >99.0%
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69525-80-0 / [(2R)-2-hexadecanoyloxy-3-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Standard CAS: 69525-80-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
69525-80-0
Multi CAS
Yes
Molecular Formula
C38H76NO8P
Molecular Weight
706.000000
Exact Mass
705.530855
InChI
InChI=1S/C38H76NO8P/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-20-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/t36-/m1/s1
InChIKey
RFVFQQWKPSOBED-PSXMRANNSA-N

Physical Properties

Physical Description
Solid
State
Solid

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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