CAS RN: 474923-31-4
N-lauroyl-D-erythro-sphinganylphosphorylcholine
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.20250922 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS474923-31-4
- Purity/Analytical Methods: >99.0%
474923-31-4 / [(2S,3R)-2-(dodecanoylamino)-3-hydroxyoctadecyl] 2-(trimethylazaniumyl)ethyl phosphate
Basic Information
CAS
474923-31-4
Multi CAS
Yes
Molecular Formula
C35H73N2O6P
Molecular Weight
648.900000
Exact Mass
648.520625
InChI
InChI=1S/C35H73N2O6P/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-34(38)33(32-43-44(40,41)42-31-30-37(3,4)5)36-35(39)29-27-25-23-20-15-13-11-9-7-2/h33-34,38H,6-32H2,1-5H3,(H-,36,39,40,41)/t33-,34+/m0/s1
InChIKey
AAKFURSPBCUAIO-SZAHLOSFSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Fraction Csp3
0.97
Rotatable bonds
33
H-bond acceptors
6
H-bond donors
2
Molar refractivity
182.5
TPSA
107.92
LogP / Solubility
WLOGP
8.44
MLOGP
7.48
XLogP3
10.6
Consensus LogP
8.84
Log S (ESOL)
-7
Class (ESOL)
Insoluble
Log S (Ali)
-10.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.85
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)
-0.68
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
5.5
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![CAS 474943-05-0 N-[12-[(7-NITRO-2-1,3-BENZOXADIAZOL-4-YL)AMINO]DODECANOYL]-SPHINGANINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB8179463.gif)