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CAS 7266-53-7 1-STEAROYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE molecular structure lightbox
CAS RN: 7266-53-7

1-STEAROYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251012 100mg Out of stock Inquiry
Batchno.20250609 25mg In stock Inquiry
Batchno.20250813 500mg Out of stock Inquiry
Batchno.20250611 5mg In stock Inquiry
  • Product code: starshine_CAS7266-53-7
  • Purity/Analytical Methods: >99.0%
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7266-53-7 / [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadeca-9,12-dienoyloxypropyl] octadecanoate

Standard CAS: 7266-53-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7266-53-7
Multi CAS
Yes
Molecular Formula
C41H78NO8P
Molecular Weight
744.000000
Exact Mass
743.546505
InChI
InChI=1S/C41H78NO8P/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/h12,14,18,20,39H,3-11,13,15-17,19,21-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1
InChIKey
YDTWOEYVDRKKCR-LDLOPFEMSA-N

Computed Properties

Structural Parameters

Heavy atom count
51
Fraction Csp3
0.85
Rotatable bonds
39
H-bond acceptors
8
H-bond donors
2
Molar refractivity
210.53
TPSA
134.38

LogP / Solubility

WLOGP
11.61
MLOGP
10.28
XLogP3
10.8
Consensus LogP
10.9
Log S (ESOL)
-9.19
Class (ESOL)
Insoluble
Log S (Ali)
-14.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.81
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)
0.98

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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