CAS RN: 20545-92-0
N-(2-hydroxyethyl)undec-10-enamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260317 | 10mg / 50mg / 250mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS20545-92-0
- Purity/Analytical Methods: >99.0%
20545-92-0 / N-(2-hydroxyethyl)undec-10-enamide
Basic Information
CAS
20545-92-0
Multi CAS
No
Molecular Formula
C13H25NO2
Molecular Weight
227.340000
Exact Mass
227.188529
SMILES
C=CCCCCCCCCC(=O)NCCO
InChI
InChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-9-10-13(16)14-11-12-15/h2,15H,1,3-12H2,(H,14,16)
InChIKey
ISTASGAHDLTQRU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.77
Rotatable bonds
11
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.23
TPSA
49.33
LogP / Solubility
WLOGP
2.4
MLOGP
2.12
XLogP3
2.9
Consensus LogP
2.47
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.45
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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