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CAS 65154-06-5 1-O-HEXADECYL-2-ACETYL-SN-GLYCERO-3-PHOSPHOCHOLINE molecular structure lightbox
CAS RN: 65154-06-5

1-O-HEXADECYL-2-ACETYL-SN-GLYCERO-3-PHOSPHOCHOLINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251203 1mg In stock Shanghai Inquiry
  • Product code: starshine_CAS65154-06-5
  • Purity/Analytical Methods: >99.0%
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65154-06-5 / (2-acetyloxy-3-hexadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate

Standard CAS: 65154-06-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65154-06-5
Multi CAS
Yes
Molecular Formula
C26H54NO7P
Molecular Weight
523.700000
Exact Mass
523.363790
InChI
InChI=1S/C12H26NO7P/c1-6-17-9-12(20-11(2)14)10-19-21(15,16)18-8-7-13(3,4)5/h12H,6-10H2,1-5H3/t12-/m1/s1
InChIKey
OLGKYSVSAKLUHK-GFCCVEGCSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.96
Rotatable bonds
25
H-bond acceptors
7
Molar refractivity
139.09
TPSA
94.12

LogP / Solubility

WLOGP
5.62
MLOGP
4.99
XLogP3
6.5
Consensus LogP
5.7
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.73
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)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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