![CAS 958812-40-3 8-azabicyclo[3.2.1]octan-2-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/958812-40-3.gif)
CAS RN: 958812-40-3
8-azabicyclo[3.2.1]octan-2-one hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260331 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS958812-40-3
- Purity/Analytical Methods: >99.0%
958812-40-3 / 8-azabicyclo[3.2.1]octan-2-one
Basic Information
CAS
958812-40-3
Multi CAS
Yes
Molecular Formula
C7H11NO
Molecular Weight
125.170000
Exact Mass
125.084064
InChI
InChI=1S/C7H11NO/c9-7-4-2-5-1-3-6(7)8-5/h5-6,8H,1-4H2
InChIKey
YCJKSIIIDRILDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.19
TPSA
29.1
LogP / Solubility
WLOGP
0.47
MLOGP
0.4
XLogP3
0.3
Consensus LogP
0.39
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
Class (SILICOS-IT)
Very 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)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
5,7-dimethoxy-8-(1-(4-methoxyphenyl)-3-oxo-3-(pyrrolidin-1-yl)propyl)-4-phenyl-2H-chromen-2-one
- CAS RN: 958843-91-9
- Product Code: SSC-211539
-
5-[[4-(4-Pyridinyl)-6-quinolinyl]methylene]-2,4-thiazolidenedione
- CAS RN: 958852-01-2
- Product Code: SSC-211540
-
([2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]METHYL)(METHYL)AMINE
- CAS RN: 958863-66-6
- Product Code: SSC-211544
-
-
12-Hydroxy-8(17),13-labdadien-16,15-olide
- CAS RN: 958885-86-4
- Product Code: starshine_CAS958885-86-4
- Purity/Analytical method: >99.0%
-
![CAS 958852-01-2 5-[[4-(4-Pyridinyl)-6-quinolinyl]methylene]-2,4-thiazolidenedione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/958852-01-2.gif)
![CAS 958863-66-6 ([2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]METHYL)(METHYL)AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/958863-66-6.gif)
