CAS RN: 97802-55-6
1-O-(CIS-9-OCTADECENYL)-SN-GLYCERO-3-PHOSPHOCHOLINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251022 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS97802-55-6
- Purity/Analytical Methods: >99.0%
97802-55-6 / [(2R)-2-hydroxy-3-[(E)-octadec-1-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Basic Information
CAS
97802-55-6
Multi CAS
Yes
Molecular Formula
C26H54NO6P
Molecular Weight
507.700000
Exact Mass
507.368875
InChI
InChI=1S/C26H54NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h20,22,26,28H,5-19,21,23-25H2,1-4H3/b22-20-/t26-/m1/s1
InChIKey
WBOMIOWRFSPZMC-AYICAFKVSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.92
Rotatable bonds
25
H-bond acceptors
6
H-bond donors
1
Molar refractivity
138.44
TPSA
88.05
LogP / Solubility
WLOGP
5.96
MLOGP
5.28
XLogP3
7.2
Consensus LogP
6.15
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.9
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)
-1.59
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
3.5
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