CAS RN: 1207276-00-3
(1S,2R)-2-(4-Fluorophenyl)cyclopropanamine
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.20251204 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINS915884
1207276-00-3 / trans-(1S,2R)-2-(4-fluorophenyl)cyclopropan-1-amine
(1S,2R)-2-(4-Fluorophenyl)cyclopropanamine | (1S,2R)-2-(4-fluorophenyl)cyclopropan-1-amine | (1S,2R)-2-(4-Fluoro-phenyl)-cyclopropylamine
Basic Information
CAS
1207276-00-3
Multi CAS
Yes
Molecular Formula
C9H10FN
Molecular Weight
151.180000
Exact Mass
151.079727
SMILES
C1[C@@H]([C@H]1N)C2=CC=C(C=C2)F
InChI
InChI=1S/C9H10FN/c10-7-3-1-6(2-4-7)8-5-9(8)11/h1-4,8-9H,5,11H2/t8-,9+/m1/s1
InChIKey
GTYFDGYGRFJTKJ-BDAKNGLRSA-N
Synonyms
(1S,2R)-2-(4-Fluorophenyl)cyclopropanamine
(1S,2R)-2-(4-fluorophenyl)cyclopropan-1-amine
(1S,2R)-2-(4-Fluoro-phenyl)-cyclopropylamine
rel-(1R,2S)-2-(4-Fluorophenyl)cyclopropanamine
Ticagrelor Impurity 129
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.73
TPSA
26.02
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
1.6
Consensus LogP
1.56
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
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)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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