CAS RN: 53835-21-5
1-OXA-4,7,10-TRIAZACYCLODODECANE
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.20250330 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS53835-21-5
- Purity/Analytical Methods: >99.0%
53835-21-5 / 1-oxa-4,7,10-triazacyclododecane
Basic Information
CAS
53835-21-5
Multi CAS
No
Molecular Formula
C8H19N3O
Molecular Weight
173.260000
Exact Mass
173.152812
InChI
InChI=1S/C8H19N3O/c1-3-10-5-7-12-8-6-11-4-2-9-1/h9-11H,1-8H2
InChIKey
NLINGGCQUVARNS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
49.43
TPSA
45.32
LogP / Solubility
WLOGP
-1.21
MLOGP
-1.07
XLogP3
-1.7
Consensus LogP
-1.33
Log S (ESOL)
-0.15
Class (ESOL)
Very soluble
Log S (Ali)
-0.1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.22
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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