CAS RN: 5136-44-7
ETHYLENENPALMITAMIDENSTEARAMIDE
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250321 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS5136-44-7
- Purity/Analytical Methods: >99.0%
5136-44-7 / N-[2-(hexadecanoylamino)ethyl]octadecanamide
Basic Information
CAS
5136-44-7
Multi CAS
Yes
Molecular Formula
C36H72N2O2
Molecular Weight
565.000000
Exact Mass
564.559380
InChI
InChI=1S/C36H72N2O2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)38-34-33-37-35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-34H2,1-2H3,(H,37,39)(H,38,40)
InChIKey
NGQRCILAEXOBRL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Fraction Csp3
0.94
Rotatable bonds
33
H-bond acceptors
2
H-bond donors
2
Molar refractivity
175.88
TPSA
58.2
LogP / Solubility
WLOGP
10.96
MLOGP
9.69
XLogP3
14.6
Consensus LogP
11.75
Log S (ESOL)
-8.07
Class (ESOL)
Insoluble
Log S (Ali)
-12.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.39
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)
1.62
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
4
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