CAS RN: 2514660-75-2
1H-Inden-1-amine, 2,3-dihydro-5-(trifluoromethyl)-, hydrochloride (1:1), (1S)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260504 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2514660-75-2
- Purity/Analytical Methods: >99.0%
2514660-75-2 / (1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
Basic Information
CAS
2514660-75-2
Multi CAS
No
Molecular Formula
C10H11ClF3N
Molecular Weight
237.650000
Exact Mass
237.053212
SMILES
C1CC2=C([C@H]1N)C=CC(=C2)C(F)(F)F.Cl
InChI
InChI=1S/C10H10F3N.ClH/c11-10(12,13)7-2-3-8-6(5-7)1-4-9(8)14;/h2-3,5,9H,1,4,14H2;1H/t9-;/m0./s1
InChIKey
WBVQXVPOXWEREQ-FVGYRXGTSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.94
TPSA
26.02
LogP / Solubility
WLOGP
3.07
MLOGP
2.71
XLogP3
3.07
Consensus LogP
2.95
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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