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CAS 76343-22-1 1-myristoyl-2-stearoylphosphatidylcholine molecular structure lightbox
CAS RN: 76343-22-1

1-myristoyl-2-stearoylphosphatidylcholine

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3 package records3 with current stock1 grade group
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Batchno.20251220 100mg In stock Inquiry
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Batchno.20250814 500mg In stock Inquiry
  • Product code: starshine_CAS76343-22-1
  • Purity/Analytical Methods: >99.0%
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76343-22-1 / [(2R)-2-octadecanoyloxy-3-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Standard CAS: 76343-22-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
76343-22-1
Multi CAS
Yes
Molecular Formula
C40H80NO8P
Molecular Weight
734.000000
Exact Mass
733.562156
InChI
InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1
InChIKey
TYAQXZHDAGZOEO-KXQOOQHDSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
50
Fraction Csp3
0.95
Rotatable bonds
38
H-bond acceptors
8
Molar refractivity
203.87
TPSA
111.19

LogP / Solubility

WLOGP
10.61
MLOGP
9.4
XLogP3
13.5
Consensus LogP
11.17
Log S (ESOL)
-8.57
Class (ESOL)
Insoluble
Log S (Ali)
-13.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.8
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)
0.34

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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