CAS RN: 2703746-20-5
(S)-1-(2,3-Dihydro-1H-inden-4-yl)ethan-1-amine hydrochloride
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.20251204 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2703746-20-5
- Purity/Analytical Methods: >99.0%
2703746-20-5 / (1S)-1-(2,3-dihydro-1H-inden-4-yl)ethanamine;hydrochloride
Basic Information
CAS
2703746-20-5
Multi CAS
No
Molecular Formula
C11H16ClN
Molecular Weight
197.700000
Exact Mass
197.097127
SMILES
C[C@@H](C1=CC=CC2=C1CCC2)N.Cl
InChI
InChI=1S/C11H15N.ClH/c1-8(12)10-6-2-4-9-5-3-7-11(9)10;/h2,4,6,8H,3,5,7,12H2,1H3;1H/t8-;/m0./s1
InChIKey
GHRRBBFJQSXLIN-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.32
TPSA
26.02
LogP / Solubility
WLOGP
2.62
MLOGP
2.3
XLogP3
2.62
Consensus LogP
2.51
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
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)
-2.07
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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