CAS RN: 74199-16-9
cis-Decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260108 | 10mg / 50mg / 250mg / 1g | Confirm by inquiry | Shandong, Hebei | Inquiry |
- Product code: ICTD3561
- Purity/Analytical Methods: >98.0%(GC)
74199-16-9 / 1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadecane
Basic Information
CAS
74199-16-9
Multi CAS
Yes
Molecular Formula
C12H22N4
Molecular Weight
222.330000
Exact Mass
222.184447
InChI
InChI=1S/C12H22N4/c1-3-13-7-9-15-5-2-6-16-10-8-14(4-1)11(13)12(15)16/h11-12H,1-10H2
InChIKey
CMHJBNKGPWROQM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
H-bond acceptors
4
Molar refractivity
63.1
TPSA
12.96
LogP / Solubility
WLOGP
-0.32
MLOGP
-0.28
XLogP3
0.5
Consensus LogP
-0.03
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.84
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)
-4.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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