CAS RN: 249920-06-7
2-Pyridinemethanamine,alpha-ethyl-,(alphaR)-(9CI)
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.20250401 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS249920-06-7
- Purity/Analytical Methods: >99.0%
249920-06-7 / 1-pyridin-2-ylpropan-1-amine
Basic Information
CAS
249920-06-7
Multi CAS
No
Molecular Formula
C8H12N2
Molecular Weight
136.190000
Exact Mass
136.100048
SMILES
CCC(C1=CC=CC=N1)N
InChI
InChI=1S/C8H12N2/c1-2-7(9)8-5-3-4-6-10-8/h3-7H,2,9H2,1H3/t7-/m1/s1
InChIKey
ARIBPNACTHQUIK-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.46
TPSA
38.91
LogP / Solubility
WLOGP
1.49
MLOGP
1.3
XLogP3
0.7
Consensus LogP
1.16
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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