CAS RN: 799279-68-8
1-(9Z-octadecenyl)-2-hydroxy-sn-glycero-3-phosphate (aMMoniuM salt)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251005 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS799279-68-8
- Purity/Analytical Methods: >99.0%
799279-68-8 / azane;[(2R)-2-hydroxy-3-[(Z)-octadec-9-enoxy]propyl] dihydrogen phosphate
Basic Information
CAS
799279-68-8
Multi CAS
Yes
Molecular Formula
C21H46NO6P
Molecular Weight
439.600000
Exact Mass
439.306275
InChI
InChI=1S/C21H43O6P.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;/h9-10,21-22H,2-8,11-20H2,1H3,(H2,23,24,25);1H3/b10-9-;/t21-;/m1./s1
InChIKey
WEOSAIXAEGBVPQ-WBIWQBECSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.9
Rotatable bonds
21
H-bond acceptors
5
H-bond donors
4
Molar refractivity
119.3
TPSA
131.22
LogP / Solubility
WLOGP
5.67
MLOGP
5.02
XLogP3
5.67
Consensus LogP
5.45
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.75
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)
-1.37
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
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