CAS RN: 1795787-04-0
(S)-1-AMinoindane-d3
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.20260401 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1795787-04-0
- Purity/Analytical Methods: >99.0%
1795787-04-0 / (1S)-1,2,2-trideuterio-3H-inden-1-amine
Basic Information
CAS
1795787-04-0
Multi CAS
No
Molecular Formula
C9H11N
Molecular Weight
136.210000
Exact Mass
136.107980
SMILES
[2H][C@]1(C2=CC=CC=C2CC1([2H])[2H])N
InChI
InChI=1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2/t9-/m0/s1/i6D2,9D
InChIKey
XJEVHMGJSYVQBQ-BJCVOOPNSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.69
TPSA
26.02
LogP / Solubility
WLOGP
1.63
MLOGP
1.43
XLogP3
1.2
Consensus LogP
1.42
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
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)
-2.37
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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