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CAS 201216-37-7 1-O-HEXADECYL-(7,7,8,8-D4)-SN-GLYCERYL-3-PHOSPHORYLCHOLINE molecular structure lightbox
CAS RN: 201216-37-7

1-O-HEXADECYL-(7,7,8,8-D4)-SN-GLYCERYL-3-PHOSPHORYLCHOLINE

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260518 100μg In stock Inquiry
Batchno.20260701 500μg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250216 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS201216-37-7
  • Purity/Analytical Methods: >99.0%
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201216-37-7 / 2-[[(2R)-3-hexadecoxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Standard CAS: 201216-37-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
201216-37-7
Multi CAS
No
Molecular Formula
C24H53NO6P+
Molecular Weight
482.700000
Exact Mass
482.361050
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C24H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(26)23-31-32(27,28)30-21-19-25(2,3)4/h24,26H,5-23H2,1-4H3/p+1/t24-/m1/s1
InChIKey
VLBPIWYTPAXCFJ-XMMPIXPASA-O

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
1
Rotatable bonds
24
H-bond acceptors
5
H-bond donors
2
Molar refractivity
131.77
TPSA
85.22

LogP / Solubility

WLOGP
5.69
MLOGP
5.04
XLogP3
6
Consensus LogP
5.58
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.4
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)
-1.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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