CAS RN: 63838-48-2
2-azabicyclo(2.2.1)hept-5-en-3-one
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.20250519 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS63838-48-2
- Purity/Analytical Methods: >99.0%
63838-48-2 / 2-azabicyclo[2.2.1]hept-5-en-3-one
Basic Information
CAS
63838-48-2
Multi CAS
Yes
Molecular Formula
C6H7NO
Molecular Weight
109.130000
Exact Mass
109.052764
InChI
InChI=1S/C6H7NO/c8-6-4-2-1-3-5(4)7-6/h1,3-5H,2H2,(H,7,8)
InChIKey
HGDDVGDYVZZSGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.18
TPSA
29.1
LogP / Solubility
WLOGP
0.06
MLOGP
0.04
XLogP3
0.1
Consensus LogP
0.07
Log S (ESOL)
-0.55
Class (ESOL)
Very soluble
Log S (Ali)
-0.5
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.42
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)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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