![CAS 1523572-06-6 Bicyclo[1.1.1]pentane-1,3-diMethylaMine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1523572-06-6.gif)
CAS RN: 1523572-06-6
Bicyclo[1.1.1]pentane-1,3-diMethylaMine dihydrochloride
- Product code: SSC-062181
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1523572-06-6 / 1-N,3-N-dimethylbicyclo[1.1.1]pentane-1,3-diamine;dihydrochloride
Basic Information
CAS
1523572-06-6
Multi CAS
No
Molecular Formula
C7H16Cl2N2
Molecular Weight
199.120000
Exact Mass
198.069054
SMILES
CNC12CC(C1)(C2)NC.Cl.Cl
InChI
InChI=1S/C7H14N2.2ClH/c1-8-6-3-7(4-6,5-6)9-2;;/h8-9H,3-5H2,1-2H3;2*1H
InChIKey
ULOHFUJKJZRPHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.93
TPSA
24.06
LogP / Solubility
WLOGP
0.94
MLOGP
0.83
XLogP3
0.94
Consensus LogP
0.9
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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