CAS RN: 1246303-17-2
N-palMitoyl-D-erythro-dihydroceraMide-1-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.20250425 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1246303-17-2
- Purity/Analytical Methods: >99.0%
1246303-17-2 / diazanium;[2-(hexadecanoylamino)-3-hydroxyoctadecyl] phosphate
Basic Information
CAS
1246303-17-2
Multi CAS
No
Molecular Formula
C34H76N3O6P
Molecular Weight
654.000000
Exact Mass
653.547174
SMILES
CCCCCCCCCCCCCCCC(C(COP(=O)([O-])[O-])NC(=O)CCCCCCCCCCCCCCC)O.[NH4+].[NH4+]
InChI
InChI=1S/C34H70NO6P.2H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(36)32(31-41-42(38,39)40)35-34(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h32-33,36H,3-31H2,1-2H3,(H,35,37)(H2,38,39,40);2*1H3
InChIKey
NSDBVKCXYFTORB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Fraction Csp3
0.97
Rotatable bonds
33
H-bond acceptors
6
H-bond donors
4
Molar refractivity
184.09
TPSA
194.75
LogP / Solubility
WLOGP
9.39
MLOGP
8.32
XLogP3
9.39
Consensus LogP
9.03
Log S (ESOL)
-7.63
Class (ESOL)
Insoluble
Log S (Ali)
-11.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.67
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)
-0.04
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
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