![CAS 1226292-50-7 4-Methyl-isoxazolo[5,4-b]pyridin-3-ylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1226292-50-7.gif)
CAS RN: 1226292-50-7
4-Methyl-isoxazolo[5,4-b]pyridin-3-ylamine
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.20260416 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1226292-50-7
- Purity/Analytical Methods: >99.0%
1226292-50-7 / 4-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine
Basic Information
CAS
1226292-50-7
Multi CAS
No
Molecular Formula
C7H7N3O
Molecular Weight
149.150000
Exact Mass
149.058912
SMILES
CC1=C2C(=NOC2=NC=C1)N
InChI
InChI=1S/C7H7N3O/c1-4-2-3-9-7-5(4)6(8)10-11-7/h2-3H,1H3,(H2,8,10)
InChIKey
FBAQTPMAXCGMFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.95
TPSA
64.94
LogP / Solubility
WLOGP
1.11
MLOGP
0.97
XLogP3
1
Consensus LogP
1.03
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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