CAS RN: 799268-69-2
1-O-(9Z-octadecenyl)-sn-glycero-2,3-cyclic-phosphate (aMMoniuM salt)
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.20250916 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS799268-69-2
- Purity/Analytical Methods: >99.0%
799268-69-2 / azane;(4R)-2-hydroxy-4-[[(Z)-octadec-9-enoxy]methyl]-1,3,2lambda5-dioxaphospholane 2-oxide
Basic Information
CAS
799268-69-2
Multi CAS
Yes
Molecular Formula
C21H44NO5P
Molecular Weight
421.600000
Exact Mass
421.295711
InChI
InChI=1S/C21H41O5P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-21-20-25-27(22,23)26-21;/h9-10,21H,2-8,11-20H2,1H3,(H,22,23);1H3/b10-9-;/t21-;/m1./s1
InChIKey
OQYRMQWRTNWOER-WBIWQBECSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.9
Rotatable bonds
18
H-bond acceptors
5
H-bond donors
2
Molar refractivity
115.94
TPSA
99.99
LogP / Solubility
WLOGP
6.72
MLOGP
5.94
XLogP3
6.72
Consensus LogP
6.46
Log S (ESOL)
-5.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.14
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)
-0.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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