CAS RN: 90989-93-8
PHOSPHATIDYLETHANOLAMINE
Product Availability
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4 package records4 with current stock2 grade groups
- Product code: starshine_CAS90989-93-8
- Purity/Analytical Methods: >99.0%
90989-93-8 / 2-azaniumylethyl 2,3-diacetyloxypropyl phosphate
Basic Information
CAS
90989-93-8
Multi CAS
Yes
Molecular Formula
C9H18NO8P
Molecular Weight
299.210000
Exact Mass
299.077004
InChI
InChI=1S/C9H18NO8P/c1-7(11)15-5-9(18-8(2)12)6-17-19(13,14)16-4-3-10/h9H,3-6,10H2,1-2H3,(H,13,14)
InChIKey
CFWRDBDJAOHXSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.78
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
1
Molar refractivity
59.45
TPSA
138.83
LogP / Solubility
WLOGP
-1.78
MLOGP
-1.55
XLogP3
-2.2
Consensus LogP
-1.84
Log S (ESOL)
0.02
Class (ESOL)
Highly soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
Soluble
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)
-5.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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