CAS RN: 2250241-76-8
(1R)-1-(3-METHYL(2-PYRIDYL))ETHYLAMINE DIHYDROCHLORIDE
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.20250419 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2250241-76-8
- Purity/Analytical Methods: >99.0%
2250241-76-8 / (1R)-1-(3-methyl-2-pyridinyl)ethanamine
Basic Information
CAS
2250241-76-8
Multi CAS
No
Molecular Formula
C8H12N2
Molecular Weight
136.190000
Exact Mass
136.100048
SMILES
CC1=C(N=CC=C1)[C@@H](C)N
InChI
InChI=1S/C8H12N2.2ClH/c1-6-4-3-5-10-8(6)7(2)9;;/h3-5,7H,9H2,1-2H3;2*1H/t7-;;/m1../s1
InChIKey
YKDOWTUCJMZPGO-XCUBXKJBSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.58
TPSA
38.91
LogP / Solubility
WLOGP
1.41
MLOGP
1.23
XLogP3
0.5
Consensus LogP
1.05
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-2.55
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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