CAS RN: 799279-67-7
1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (aMMoniuM salt)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250428 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS799279-67-7
- Purity/Analytical Methods: >99.0%
799279-67-7 / azane;[(2R)-2-hydroxy-3-octadecoxypropyl] dihydrogen phosphate
Basic Information
CAS
799279-67-7
Multi CAS
Yes
Molecular Formula
C21H48NO6P
Molecular Weight
441.600000
Exact Mass
441.321925
InChI
InChI=1S/C21H44O6P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-27-28(23,24)25;/h21H,2-20H2,1H3,(H2,23,24,25);1H3/q-1;/p+1
InChIKey
RRAHIAWCNQNZFB-UHFFFAOYSA-O
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
1
Rotatable bonds
22
H-bond acceptors
5
H-bond donors
4
Molar refractivity
119.39
TPSA
131.22
LogP / Solubility
WLOGP
5.9
MLOGP
5.22
XLogP3
5.9
Consensus LogP
5.67
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.06
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.23
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
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