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 | Shanghai | Inquiry |
39896-06-5 / 1-azabicyclo[2.2.2]octane;hydrochloride
Basic Information
CAS
39896-06-5
Multi CAS
Yes
Molecular Formula
C7H14CLN
Molecular Weight
147.640000
Exact Mass
147.081477
InChI
InChI=1S/C7H13N.ClH/c1-4-8-5-2-7(1)3-6-8;/h7H,1-6H2;1H
InChIKey
BZLBBZLOMXKMTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.03
TPSA
3.24
LogP / Solubility
WLOGP
1.52
MLOGP
1.33
XLogP3
1.52
Consensus LogP
1.46
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
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)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
