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CAS 97281-52-2 L-ALPHA-PHOSPHATIDYLINOSITOL molecular structure lightbox
CAS RN: 97281-52-2

L-ALPHA-PHOSPHATIDYLINOSITOL

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260625 250mg In stock Shanghai, Shandong Inquiry
Batchno.20250224 50mg In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: starshine_CAS97281-52-2
  • Purity/Analytical Methods: >99.0%
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97281-52-2 / [(2R)-3-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate

Standard CAS: 97281-52-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97281-52-2
Multi CAS
Yes
Molecular Formula
C45H87O13P
Molecular Weight
867.100000
Exact Mass
866.588430
InChI
InChI=1S/C45H87O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40-45,48-52H,3-36H2,1-2H3,(H,53,54)/t37-,40?,41-,42+,43-,44-,45?/m1/s1
InChIKey
FQZQXPXKJFOAGE-KAEDGTSCSA-N

Computed Properties

Structural Parameters

Heavy atom count
59
Fraction Csp3
0.96
Rotatable bonds
40
H-bond acceptors
12
H-bond donors
6
Molar refractivity
230.62
TPSA
209.51

LogP / Solubility

WLOGP
9.28
MLOGP
8.25
XLogP3
12.4
Consensus LogP
9.98
Log S (ESOL)
-8.43
Class (ESOL)
Insoluble
Log S (Ali)
-13.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.8
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.42

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
7

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