CAS RN: 41775-76-2
1-Aza-12-crown 4-Ether
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
- Product code: SSC-150143
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
41775-76-2 / 1,4,7-trioxa-10-azacyclododecane
Basic Information
CAS
41775-76-2
Multi CAS
No
Molecular Formula
C8H17NO3
Molecular Weight
175.230000
Exact Mass
175.120843
InChI
InChI=1S/C8H17NO3/c1-3-10-5-7-12-8-6-11-4-2-9-1/h9H,1-8H2
InChIKey
QNSRHBOZQLXYNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.33
TPSA
39.72
LogP / Solubility
WLOGP
-0.36
MLOGP
-0.32
XLogP3
-1.2
Consensus LogP
-0.63
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
Class (SILICOS-IT)
Very 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)
-4.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
