CAS RN: 477243-06-4
CeraMide (Egg, Chicken)
Product Availability
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2 package records1 with current stock2 grade groups
- Product code: starshine_CAS477243-06-4
- Purity/Analytical Methods: >99.0%
477243-06-4 / N-(1,3-dihydroxyoctadec-4-en-2-yl)hexadecanamide
Basic Information
CAS
477243-06-4
Multi CAS
Yes
Molecular Formula
C34H67NO3
Molecular Weight
537.900000
Exact Mass
537.512095
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)
InChIKey
YDNKGFDKKRUKPY-UHFFFAOYSA-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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