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CAS 8030-76-0 Soybean Polar Lipid Extract molecular structure lightbox
CAS RN: 8030-76-0

Soybean Polar Lipid Extract

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Available package options are listed below.

3 package records3 with current stock
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260622 100mg In stock Inquiry
Batchno.20250810 25mg In stock Inquiry
Batchno.20250622 25mg In stock Shanghai Inquiry
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8030-76-0 / (3-hexadecanoyloxy-2-octadeca-9,12-dienoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate

L-alpha-phosphatidylcholine | C42H80NO8P | 1,2-Diacyl-sn-glycero-3-phosphocholine

Standard CAS: 8030-76-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
8030-76-0
Multi CAS
Yes
Molecular Formula
C42H80NO8P
Molecular Weight
758.100000
Exact Mass
757.562156
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
InChI
InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3
InChIKey
JLPULHDHAOZNQI-UHFFFAOYSA-N
Synonyms
L-alpha-phosphatidylcholine C42H80NO8P 1,2-Diacyl-sn-glycero-3-phosphocholine L-a-Phosphatidylcholine solution SCHEMBL23834444

Computed Properties

Structural Parameters

Heavy atom count
52
Fraction Csp3
0.86
Rotatable bonds
38
H-bond acceptors
8
Molar refractivity
212.92
TPSA
111.19

LogP / Solubility

WLOGP
10.94
MLOGP
9.7
XLogP3
12.9
Consensus LogP
11.18
Log S (ESOL)
-8.93
Class (ESOL)
Insoluble
Log S (Ali)
-13.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.23
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)
0.43

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 4 of 4 companies. For more detailed information, please visit ECHA C&L website.

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