CAS RN: 2103399-35-3
(S)-5-FLUORO-2,3-DIHYDRO-1H-INDEN-1-AMINE HCL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250916 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2103399-35-3
- Purity/Analytical Methods: >99.0%
2103399-35-3 / (1S)-5-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride
Basic Information
CAS
2103399-35-3
Multi CAS
No
Molecular Formula
C9H11ClFN
Molecular Weight
187.640000
Exact Mass
187.056405
SMILES
C1CC2=C([C@H]1N)C=CC(=C2)F.Cl
InChI
InChI=1S/C9H10FN.ClH/c10-7-2-3-8-6(5-7)1-4-9(8)11;/h2-3,5,9H,1,4,11H2;1H/t9-;/m0./s1
InChIKey
ALDKGIXHFMGJRE-FVGYRXGTSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.9
TPSA
26.02
LogP / Solubility
WLOGP
2.19
MLOGP
1.93
XLogP3
2.19
Consensus LogP
2.1
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.31
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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