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CAS 121459-06-1 C20 Dihydroceramide molecular structure lightbox
CAS RN: 121459-06-1

C20 Dihydroceramide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260312 1mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS121459-06-1
  • Purity/Analytical Methods: >99.0%
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121459-06-1 / N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]icosanamide

Standard CAS: 121459-06-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
121459-06-1
Multi CAS
No
Molecular Formula
C38H77NO3
Molecular Weight
596.000000
Exact Mass
595.590345
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C38H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h36-37,40-41H,3-35H2,1-2H3,(H,39,42)/t36-,37+/m0/s1
InChIKey
ZWAUSWHRQBSECP-PQQNNWGCSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
42
Fraction Csp3
0.97
Rotatable bonds
35
H-bond acceptors
3
H-bond donors
3
Molar refractivity
184.12
TPSA
69.56

LogP / Solubility

WLOGP
11.35
MLOGP
10.03
XLogP3
15.5
Consensus LogP
12.29
Log S (ESOL)
-8.37
Class (ESOL)
Insoluble
Log S (Ali)
-12.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.15
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)
1.7

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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