CAS RN: 2061980-70-7
(7-BROMOINDAN-1-YL)AMINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250622 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250813 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20251008 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250504 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251127 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2061980-70-7
- Purity/Analytical Methods: >99.0%
2061980-70-7 / 7-bromo-2,3-dihydro-1H-inden-1-amine;hydrochloride
Basic Information
CAS
2061980-70-7
Multi CAS
No
Molecular Formula
C9H11BrClN
Molecular Weight
248.550000
Exact Mass
246.976340
SMILES
C1CC2=C(C1N)C(=CC=C2)Br.Cl
InChI
InChI=1S/C9H10BrN.ClH/c10-7-3-1-2-6-4-5-8(11)9(6)7;/h1-3,8H,4-5,11H2;1H
InChIKey
JHZGPZBKLDACAV-UHFFFAOYSA-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
56.64
TPSA
26.02
LogP / Solubility
WLOGP
2.82
MLOGP
2.48
XLogP3
2.82
Consensus LogP
2.71
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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)
-2.24
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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