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CAS 147492-65-7 C22 Dihydroceramide molecular structure lightbox
CAS RN: 147492-65-7

C22 Dihydroceramide

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Batchno.20260401 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS147492-65-7
  • Purity/Analytical Methods: >99.0%
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147492-65-7 / N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]docosanamide

Standard CAS: 147492-65-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
147492-65-7
Multi CAS
No
Molecular Formula
C40H81NO3
Molecular Weight
624.100000
Exact Mass
623.621645
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C40H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h38-39,42-43H,3-37H2,1-2H3,(H,41,44)/t38-,39+/m0/s1
InChIKey
SXPRAKSDHOEHIG-ZESVVUHVSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
44
Fraction Csp3
0.97
Rotatable bonds
37
H-bond acceptors
3
H-bond donors
3
Molar refractivity
193.35
TPSA
69.56

LogP / Solubility

WLOGP
12.13
MLOGP
10.72
XLogP3
16.6
Consensus LogP
13.15
Log S (ESOL)
-8.91
Class (ESOL)
Insoluble
Log S (Ali)
-13.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.22
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)
2.08

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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