![CAS 1886967-25-4 3-chlorobicyclo[1.1.1]pentan-1-amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1886967-25-4.gif)
CAS RN: 1886967-25-4
3-chlorobicyclo[1.1.1]pentan-1-amine hydrochloride
- Product code: SSC-087818
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, 5g
- Available purity: >95%
- Inventory rows with stock: 8
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | -- | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 5 In Stock | Beijing | Inquiry |
| 1g | -- | 5 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | -- | 5 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 5 In Stock | Beijing | Inquiry |
1886967-25-4 / 3-chlorobicyclo[1.1.1]pentan-1-amine;hydrochloride
Basic Information
CAS
1886967-25-4
Multi CAS
No
Molecular Formula
C5H9Cl2N
Molecular Weight
154.030000
Exact Mass
153.011205
SMILES
C1C2(CC1(C2)Cl)N.Cl
InChI
InChI=1S/C5H8ClN.ClH/c6-4-1-5(7,2-4)3-4;/h1-3,7H2;1H
InChIKey
MYSGDXVBKMKAST-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.6
TPSA
26.02
LogP / Solubility
WLOGP
1.28
MLOGP
1.12
XLogP3
1.28
Consensus LogP
1.23
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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