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CAS 123060-40-2 1-MYRISTOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE molecular structure lightbox
CAS RN: 123060-40-2

1-MYRISTOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260320 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS123060-40-2
  • Purity/Analytical Methods: >99.0%
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123060-40-2 / 2-azaniumylethyl [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] phosphate

Standard CAS: 123060-40-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
123060-40-2
Multi CAS
No
Molecular Formula
C19H40NO7P
Molecular Weight
425.500000
Exact Mass
425.254240
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])O
InChI
InChI=1S/C19H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)25-16-18(21)17-27-28(23,24)26-15-14-20/h18,21H,2-17,20H2,1H3,(H,23,24)/t18-/m1/s1
InChIKey
RPXHXZNGZBHSMJ-GOSISDBHSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.95
Rotatable bonds
20
H-bond acceptors
7
H-bond donors
2
Molar refractivity
105.31
TPSA
132.76

LogP / Solubility

WLOGP
2.34
MLOGP
2.08
XLogP3
3.5
Consensus LogP
2.64
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.76
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
No
Log Kp (skin permeation)
-3.66

Drug-likeness / Medicinal Chemistry

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

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