![CAS 76950-43-1 (1,4-Diazabicyclo[2.2.2]octan-2-yl)methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5950-jpgcontextbwfzdgvyfhjvb3r8mtcwmzv8aw1hz2uvanblz3xoyzivada2lzkyodc0mdc5mjczmjyvrdu5ntauanbnfge2mwq2mze3mdzlogiwntm1mmu4yzcwzdg0ody3yjzjn2uxmtnhowiznjm2mda2nmiwzdy2yjhhmjuyzgrhm2e.jpeg)
CAS RN: 76950-43-1
(1,4-Diazabicyclo[2.2.2]octan-2-yl)methanol
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-186403
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: 85+%
- 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 | 85+% | 0 Out of Stock | Shenzhen | Inquiry |
76950-43-1 / 1,4-diazabicyclo[2.2.2]octan-2-ylmethanol
Basic Information
CAS
76950-43-1
Multi CAS
No
Molecular Formula
C7H14N2O
Molecular Weight
142.200000
Exact Mass
142.110613
InChI
InChI=1S/C7H14N2O/c10-6-7-5-8-1-3-9(7)4-2-8/h7,10H,1-6H2
InChIKey
MPJZCYUPWINKPK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.89
TPSA
26.71
LogP / Solubility
WLOGP
-1.02
MLOGP
-0.91
XLogP3
-0.8
Consensus LogP
-0.91
Log S (ESOL)
-0.01
Class (ESOL)
Very soluble
Log S (Ali)
0.01
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.14
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)
-4.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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