![CAS 210049-13-1 2-Amino-1-(trideuteromethyl)-6-Phenylimidazo[4,5-b] pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/210049-13-1.gif)
CAS RN: 210049-13-1
2-Amino-1-(trideuteromethyl)-6-Phenylimidazo[4,5-b] pyridine
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.20250619 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS210049-13-1
- Purity/Analytical Methods: >99.0%
210049-13-1 / 6-phenyl-1-(trideuteriomethyl)imidazo[4,5-b]pyridin-2-amine
Basic Information
CAS
210049-13-1
Multi CAS
No
Molecular Formula
C13H12N4
Molecular Weight
227.280000
Exact Mass
227.125027
SMILES
[2H]C([2H])([2H])N1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N
InChI
InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)/i1D3
InChIKey
UQVKZNNCIHJZLS-FIBGUPNXSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.36
TPSA
56.73
LogP / Solubility
WLOGP
2.22
MLOGP
1.95
XLogP3
2.2
Consensus LogP
2.12
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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