![CAS 646477-45-4 8-Methyl-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/646477-45-4.gif)
CAS RN: 646477-45-4
8-Methyl-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride
- Product code: SSC-174357
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
646477-45-4 / (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)azanium dichloride
Basic Information
CAS
646477-45-4
Multi CAS
Yes
Molecular Formula
C8H18CL2N2
Molecular Weight
213.150000
Exact Mass
212.084704
InChI
InChI=1S/C8H16N2.2ClH/c1-10-7-2-3-8(10)5-6(9)4-7;;/h6-8H,2-5,9H2,1H3;2*1H
InChIKey
KVYQKWPZQKGICY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.61
TPSA
32.08
LogP / Solubility
WLOGP
-7.56
MLOGP
-6.65
XLogP3
-7.56
Consensus LogP
-7.26
Log S (ESOL)
3.6
Class (ESOL)
Highly soluble
Log S (Ali)
4.15
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.23
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-9.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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