CAS RN: 712355-12-9
N-BUTYL-3-METHYLPYRIDINIUM DICYANAMIDE
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.20250412 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS712355-12-9
- Purity/Analytical Methods: >99.0%
712355-12-9 / 1-butyl-3-methylpyridin-1-ium;cyanoiminomethylideneazanide
Basic Information
CAS
712355-12-9
Multi CAS
No
Molecular Formula
C12H16N4
Molecular Weight
216.280000
Exact Mass
216.137497
InChI
InChI=1S/C10H16N.C2N3/c1-3-4-7-11-8-5-6-10(2)9-11;3-1-5-2-4/h5-6,8-9H,3-4,7H2,1-2H3;/q+1;-1
InChIKey
FYBPOFIFDAOGDM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
62.69
TPSA
62.33
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
2.29
Consensus LogP
2.2
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly 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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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