CAS RN: 1029689-74-4
(S)-5,6-DIFLUORO-INDAN-1-YLAMINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250816 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1029689-74-4
- Purity/Analytical Methods: >99.0%
1029689-74-4 / (1S)-5,6-difluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride
5,6-difluoro-2,3-dihydro-1H-inden-1-aminehydrochloride | 5,6-Difluoro-2,3-dihydro-1H-inden-1-amine hydrochloride | 1H-Inden-1-amine,5,6-difluoro-2,3-dihydro-,hydrochloride
Basic Information
CAS
1029689-74-4
Multi CAS
Yes
Molecular Formula
C9H10ClF2N
Molecular Weight
205.630000
Exact Mass
205.046983
SMILES
C1CC2=CC(=C(C=C2[C@H]1N)F)F.Cl
InChI
InChI=1S/C9H9F2N.ClH/c10-7-3-5-1-2-9(12)6(5)4-8(7)11;/h3-4,9H,1-2,12H2;1H/t9-;/m0./s1
InChIKey
ILVJAIVQJZWBAB-FVGYRXGTSA-N
Synonyms
5,6-difluoro-2,3-dihydro-1H-inden-1-aminehydrochloride
5,6-Difluoro-2,3-dihydro-1H-inden-1-amine hydrochloride
1H-Inden-1-amine,5,6-difluoro-2,3-dihydro-,hydrochloride
MFCD30725598
5,6-difluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.86
TPSA
26.02
LogP / Solubility
WLOGP
2.33
MLOGP
2.05
XLogP3
2.33
Consensus LogP
2.24
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-2.32
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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