![CAS 866404-69-5 Acetamide, N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/866404-69-5.gif)
CAS RN: 866404-69-5
Acetamide, N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-
- Product code: SSC-195859
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
866404-69-5 / N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]acetamide
Basic Information
CAS
866404-69-5
Multi CAS
No
Molecular Formula
C8H18N2O3
Molecular Weight
190.240000
Exact Mass
190.131742
InChI
InChI=1S/C8H18N2O3/c1-8(11)10-3-5-13-7-6-12-4-2-9/h2-7,9H2,1H3,(H,10,11)
InChIKey
MLKVGKULFLDWJW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.38
TPSA
73.58
LogP / Solubility
WLOGP
-0.89
MLOGP
-0.78
XLogP3
-1.7
Consensus LogP
-1.12
Log S (ESOL)
0.07
Class (ESOL)
Highly soluble
Log S (Ali)
-0.48
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-4.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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