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CAS 326495-44-7 1-PALMITOYL(D31)-2-OLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE molecular structure lightbox
CAS RN: 326495-44-7

1-PALMITOYL(D31)-2-OLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250124 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS326495-44-7
  • Purity/Analytical Methods: >99.0%
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326495-44-7 / 2-azaniumylethyl (3-hexadecanoyloxy-2-octadec-9-enoyloxypropyl) phosphate

Standard CAS: 326495-44-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
326495-44-7
Multi CAS
Yes
Molecular Formula
C39H76NO8P
Molecular Weight
718.000000
Exact Mass
717.530855
InChI
InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1/i2D3,4D2,6D2,8D2,10D2,12D2,14D2,16D2,19D2,21D2,23D2,25D2,27D2,29D2,31D2
InChIKey
FHQVHHIBKUMWTI-UAXXPTAZSA-N

Computed Properties

Structural Parameters

Heavy atom count
49
Fraction Csp3
0.9
Rotatable bonds
38
H-bond acceptors
8
H-bond donors
1
Molar refractivity
197.87
TPSA
138.83

LogP / Solubility

WLOGP
9.7
MLOGP
8.6
XLogP3
12.6
Consensus LogP
10.3
Log S (ESOL)
-7.9
Class (ESOL)
Insoluble
Log S (Ali)
-12.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.94
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)
-0.21

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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