CAS RN: 1643543-54-7
2,6-bis(methyl-d3)pyridin-4-amine
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.20260125 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB889955
1643543-54-7 / 2,6-bis(trideuteriomethyl)pyridin-4-amine
Basic Information
CAS
1643543-54-7
Multi CAS
No
Molecular Formula
C7H10N2
Molecular Weight
128.200000
Exact Mass
128.122059
SMILES
[2H]C([2H])([2H])C1=CC(=CC(=N1)C([2H])([2H])[2H])N
InChI
InChI=1S/C7H10N2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3,(H2,8,9)/i1D3,2D3
InChIKey
ZJXMKPARTVOUAM-WFGJKAKNSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.12
TPSA
38.91
LogP / Solubility
WLOGP
1.28
MLOGP
1.12
XLogP3
1
Consensus LogP
1.13
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
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)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
