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CAS 268550-95-4 1-Palmitoyl-2-oleyl-sn-glycero-3-phospho-rac-(1-glycerol) Sodium Salt molecular structure lightbox
CAS RN: 268550-95-4

1-Palmitoyl-2-oleyl-sn-glycero-3-phospho-rac-(1-glycerol) Sodium Salt

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250210 100mg In stock Shanghai Inquiry
Batchno.20250726 1g In stock Shanghai Inquiry
Batchno.20250620 250mg In stock Shanghai Inquiry
Batchno.20260302 50mg In stock Shanghai, Wuhan Inquiry
  • Product code: ICTP2522
  • Purity/Analytical Methods: >98.0%(T)
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268550-95-4 / sodium 2,3-dihydroxypropyl [3-hexadecanoyloxy-2-[(E)-octadec-9-enoyl]oxypropyl] phosphate

Standard CAS: 268550-95-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
268550-95-4
Multi CAS
No
Molecular Formula
C40H76NaO10P
Molecular Weight
771.000000
Exact Mass
770.507380
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCC/C=C/CCCCCCCC.[Na+]
InChI
InChI=1S/C40H77O10P.Na/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46);/q;+1/p-1/b18-17+;
InChIKey
FJXDNGDRHUDFST-ZAGWXBKKSA-M

Computed Properties

Structural Parameters

Heavy atom count
52
Fraction Csp3
0.9
Rotatable bonds
39
H-bond acceptors
10
H-bond donors
2
Molar refractivity
203.21
TPSA
151.65

LogP / Solubility

WLOGP
6.82
MLOGP
6.07
XLogP3
6.82
Consensus LogP
6.57
Log S (ESOL)
-6.34
Class (ESOL)
Insoluble
Log S (Ali)
-10.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.01
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)
-2.58

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
5.5

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