CAS RN: 2241594-20-5
(1S)CYCLOPROPYL(6-FLUORO(2-PYRIDYL))METHYLAMINE 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.20250127 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2241594-20-5
- Purity/Analytical Methods: >99.0%
2241594-20-5 / (S)-cyclopropyl-(6-fluoro-2-pyridinyl)methanamine;dihydrochloride
Basic Information
CAS
2241594-20-5
Multi CAS
No
Molecular Formula
C9H13Cl2FN2
Molecular Weight
239.110000
Exact Mass
238.043982
SMILES
C1CC1[C@@H](C2=NC(=CC=C2)F)N.Cl.Cl
InChI
InChI=1S/C9H11FN2.2ClH/c10-8-3-1-2-7(12-8)9(11)6-4-5-6;;/h1-3,6,9H,4-5,11H2;2*1H/t9-;;/m0../s1
InChIKey
DSOUNGFOMMVHSE-WWPIYYJJSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.34
TPSA
38.91
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
2.47
Consensus LogP
2.37
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly 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)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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