CAS RN: 2097561-20-9
C2 Ceramide (d14:1/2:0))
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.20260121 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2097561-20-9
- Purity/Analytical Methods: >99.0%
2097561-20-9 / N-[(E,2S,3R)-1,3-dihydroxytetradec-4-en-2-yl]acetamide
Basic Information
CAS
2097561-20-9
Multi CAS
No
Molecular Formula
C16H31NO3
Molecular Weight
285.420000
Exact Mass
285.230394
SMILES
CCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)C)O
InChI
InChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-10-11-12-16(20)15(13-18)17-14(2)19/h11-12,15-16,18,20H,3-10,13H2,1-2H3,(H,17,19)/b12-11+/t15-,16+/m0/s1
InChIKey
CJDUQSUHEWFQMO-HMUVLFPJSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.81
Rotatable bonds
12
H-bond acceptors
3
H-bond donors
3
Molar refractivity
82.45
TPSA
69.56
LogP / Solubility
WLOGP
2.54
MLOGP
2.25
XLogP3
3.4
Consensus LogP
2.73
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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