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CAS 89576-29-4 1-OLEOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHOETHANOLAMINE molecular structure lightbox
CAS RN: 89576-29-4

1-OLEOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHOETHANOLAMINE

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9 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260510 100mg In stock Shanghai, Guangdong Inquiry
Batchno.20260202 25mg In stock Shanghai, Shandong, Guangdong Inquiry
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  • Product code: starshine_CAS89576-29-4
  • Purity/Analytical Methods: >99.0%
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89576-29-4 / [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (Z)-octadec-9-enoate

Standard CAS: 89576-29-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
89576-29-4
Multi CAS
Yes
Molecular Formula
C23H46NO7P
Molecular Weight
479.600000
Exact Mass
479.301190
InChI
InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m1/s1
InChIKey
PYVRVRFVLRNJLY-MZMPXXGTSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.87
Rotatable bonds
23
H-bond acceptors
7
H-bond donors
3
Molar refractivity
127.2
TPSA
128.31

LogP / Solubility

WLOGP
5.02
MLOGP
4.45
XLogP3
2.5
Consensus LogP
3.99
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.7
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.08

Drug-likeness / Medicinal Chemistry

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

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