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CAS 4537-76-2 1,2-distearoylphosphatidylethanolamine molecular structure lightbox
CAS RN: 4537-76-2

1,2-distearoylphosphatidylethanolamine

  • Product code: SSC-153124
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4537-76-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

4537-76-2 / [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate

Standard CAS: 4537-76-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4537-76-2
Multi CAS
Yes
Molecular Formula
C41H82NO8P
Molecular Weight
748.100000
Exact Mass
747.577806
InChI
InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)
InChIKey
LVNGJLRDBYCPGB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
51
Fraction Csp3
0.95
Rotatable bonds
41
H-bond acceptors
8
H-bond donors
2
Molar refractivity
210.71
TPSA
134.38

LogP / Solubility

WLOGP
12.06
MLOGP
10.68
XLogP3
12.4
Consensus LogP
11.71
Log S (ESOL)
-9.37
Class (ESOL)
Insoluble
Log S (Ali)
-14.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.45
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.28

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

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