![CAS 7546-48-7 2-DIMETHYL (2-METHYL-1H-PYRROLO[2,3-B]PYRIDINE-3YL METHYL)-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/7546-48-7.gif)
CAS RN: 7546-48-7
2-DIMETHYL (2-METHYL-1H-PYRROLO[2,3-B]PYRIDINE-3YL METHYL)-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.20260211 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS7546-48-7
- Purity/Analytical Methods: >99.0%
7546-48-7 / N,N-dimethyl-1-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine
Basic Information
CAS
7546-48-7
Multi CAS
No
Molecular Formula
C11H15N3
Molecular Weight
189.260000
Exact Mass
189.126597
InChI
InChI=1S/C11H15N3/c1-8-10(7-14(2)3)9-5-4-6-12-11(9)13-8/h4-6H,7H2,1-3H3,(H,12,13)
InChIKey
SBAZYDCUVATMSB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.22
TPSA
31.92
LogP / Solubility
WLOGP
1.93
MLOGP
1.7
XLogP3
1.5
Consensus LogP
1.71
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5
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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