CAS RN: 24696-26-2

C16 CERAMIDE

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  • Product code: starshine_CAS24696-26-2
  • Purity/Analytical Methods: >99.0%
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24696-26-2 / N-(1,3-dihydroxyoctadec-4-en-2-yl)hexadecanamide

Standard CAS: 24696-26-2 Multi CAS: No

Basic Information

CAS
24696-26-2
Multi CAS
No
Molecular Formula
C34H67NO3
Molecular Weight
537.900000
Exact Mass
537.512095
SMILES
CCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O
InChI
InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1
InChIKey
YDNKGFDKKRUKPY-TURZORIXSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.91
Rotatable bonds
30
H-bond acceptors
3
H-bond donors
3
Molar refractivity
165.55
TPSA
69.56

LogP / Solubility

WLOGP
9.56
MLOGP
8.46
XLogP3
12.9
Consensus LogP
10.31
Log S (ESOL)
-7.22
Class (ESOL)
Insoluble
Log S (Ali)
-10.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.69
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)
0.79

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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