CAS RN: 214078-92-9
1 8-DIMETHYL-1 4 8 11-TETRAAZACYLCO-
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.20250517 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS214078-92-9
- Purity/Analytical Methods: >99.0%
214078-92-9 / 1,8-dimethyl-1,4,8,11-tetrazacyclotetradecane
Basic Information
CAS
214078-92-9
Multi CAS
No
Molecular Formula
C12H28N4
Molecular Weight
228.380000
Exact Mass
228.231397
SMILES
CN1CCCNCCN(CCCNCC1)C
InChI
InChI=1S/C12H28N4/c1-15-9-3-5-14-8-12-16(2)10-4-6-13-7-11-15/h13-14H,3-12H2,1-2H3
InChIKey
BNLDMZVBFXARKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
69.97
TPSA
30.54
LogP / Solubility
WLOGP
-0.18
MLOGP
-0.15
XLogP3
-0.4
Consensus LogP
-0.24
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1
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)
-4.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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