![CAS 1886967-57-2 3-tert-butylbicyclo[1.1.1]pentan-1-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1886967-57-2.gif)
CAS RN: 1886967-57-2
3-tert-butylbicyclo[1.1.1]pentan-1-amine
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.20250101 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-087824
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1886967-57-2 / 3-tert-butylbicyclo[1.1.1]pentan-1-amine;hydrochloride
Basic Information
CAS
1886967-57-2
Multi CAS
No
Molecular Formula
C9H18ClN
Molecular Weight
175.700000
Exact Mass
175.112777
SMILES
CC(C)(C)C12CC(C1)(C2)N.Cl
InChI
InChI=1S/C9H17N.ClH/c1-7(2,3)8-4-9(10,5-8)6-8;/h4-6,10H2,1-3H3;1H
InChIKey
LTLYJLCRQVVFBS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.91
TPSA
26.02
LogP / Solubility
WLOGP
2.34
MLOGP
2.05
XLogP3
2.34
Consensus LogP
2.24
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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