CAS RN: 890041-50-6
C16 (2′(S)-hydroxy) Ceramide (d18:1/16:0)
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.20260518 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS890041-50-6
- Purity/Analytical Methods: >99.0%
890041-50-6 / (2S)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxyhexadecanamide
Basic Information
CAS
890041-50-6
Multi CAS
No
Molecular Formula
C34H67NO4
Molecular Weight
553.900000
Exact Mass
553.507010
InChI
InChI=1S/C34H67NO4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-32(37)31(30-36)35-34(39)33(38)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h26,28,31-33,36-38H,3-25,27,29-30H2,1-2H3,(H,35,39)/b28-26+/t31-,32+,33-/m0/s1
InChIKey
YWZGQPJRQXHVQX-UMKNRRHWSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Fraction Csp3
0.91
Rotatable bonds
30
H-bond acceptors
4
H-bond donors
4
Molar refractivity
166.94
TPSA
89.79
LogP / Solubility
WLOGP
8.53
MLOGP
7.55
XLogP3
12.1
Consensus LogP
9.39
Log S (ESOL)
-6.67
Class (ESOL)
Insoluble
Log S (Ali)
-10.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.94
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.04
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
5.5
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