![CAS 1403767-01-0 2-(2,5-Diazabicyclo[2.2.2]octan-2-yl)-2-Methylpropan-1-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1403767-01-0.gif)
CAS RN: 1403767-01-0
2-(2,5-Diazabicyclo[2.2.2]octan-2-yl)-2-Methylpropan-1-ol
- Product code: SSC-050965
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1403767-01-0 / 2-(2,5-diazabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-ol
Basic Information
CAS
1403767-01-0
Multi CAS
No
Molecular Formula
C10H20N2O
Molecular Weight
184.280000
Exact Mass
184.157563
SMILES
CC(C)(CO)N1CC2CCC1CN2
InChI
InChI=1S/C10H20N2O/c1-10(2,7-13)12-6-8-3-4-9(12)5-11-8/h8-9,11,13H,3-7H2,1-2H3
InChIKey
VOAYZFCNFPAWIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.68
TPSA
35.5
LogP / Solubility
WLOGP
0.19
MLOGP
0.17
XLogP3
0.2
Consensus LogP
0.19
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
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)
-3.71
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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