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CAS RN: 1889287-64-2
(S)-1-CYCLOPROPYL-N-(4-FLUOROBENZYL)ETHANAMINE
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.20251225 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1889287-64-2
- Purity/Analytical Methods: >99.0%
1889287-64-2 / (1S)-1-cyclopropyl-N-[(4-fluorophenyl)methyl]ethanamine
Basic Information
CAS
1889287-64-2
Multi CAS
No
Molecular Formula
C12H16FN
Molecular Weight
193.260000
Exact Mass
193.126678
SMILES
C[C@@H](C1CC1)NCC2=CC=C(C=C2)F
InChI
InChI=1S/C12H16FN/c1-9(11-4-5-11)14-8-10-2-6-12(13)7-3-10/h2-3,6-7,9,11,14H,4-5,8H2,1H3/t9-/m0/s1
InChIKey
GCCADRCRXVOFPO-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.43
TPSA
12.03
LogP / Solubility
WLOGP
2.71
MLOGP
2.39
XLogP3
2.6
Consensus LogP
2.57
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-1.97
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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