CAS RN: 3077-30-3
N,N-bis(2-hydroxyethyl)octanamide
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 | 500mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS3077-30-3
- Purity/Analytical Methods: >99.0%
3077-30-3 / N,N-bis(2-hydroxyethyl)octanamide
Basic Information
CAS
3077-30-3
Multi CAS
No
Molecular Formula
C12H25NO3
Molecular Weight
231.330000
Exact Mass
231.183444
InChI
InChI=1S/C12H25NO3/c1-2-3-4-5-6-7-12(16)13(8-10-14)9-11-15/h14-15H,2-11H2,1H3
InChIKey
FZQAYFWUOCXLKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.13
TPSA
60.77
LogP / Solubility
WLOGP
1.16
MLOGP
1.02
XLogP3
1.3
Consensus LogP
1.16
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly 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)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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