CAS RN: 2011762-82-4
C18 Ceramide-d3 (d18:1/18:0-d3)
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.20260112 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2011762-82-4
- Purity/Analytical Methods: >99.0%
2011762-82-4 / 18,18,18-trideuterio-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]octadecanamide
Basic Information
CAS
2011762-82-4
Multi CAS
No
Molecular Formula
C36H71NO3
Molecular Weight
569.000000
Exact Mass
568.562225
SMILES
[2H]C([2H])([2H])CCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O
InChI
InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)/b31-29+/t34-,35+/m0/s1/i1D3
InChIKey
VODZWWMEJITOND-MOZMBTNASA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Fraction Csp3
0.92
Rotatable bonds
32
H-bond acceptors
3
H-bond donors
3
Molar refractivity
174.79
TPSA
69.56
LogP / Solubility
WLOGP
10.34
MLOGP
9.15
XLogP3
13.9
Consensus LogP
11.13
Log S (ESOL)
-7.75
Class (ESOL)
Insoluble
Log S (Ali)
-11.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.17
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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