![CAS 897445-50-0 3-boc-1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/897445-50-0.gif)
CAS RN: 897445-50-0
3-boc-1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250329 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS897445-50-0
- Purity/Analytical Methods: >99.0%
897445-50-0 / tert-butyl 1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
Basic Information
CAS
897445-50-0
Multi CAS
No
Molecular Formula
C10H17NO3
Molecular Weight
199.250000
Exact Mass
199.120843
InChI
InChI=1S/C10H17NO3/c1-9(2,3)14-8(12)11-5-7-10(4,6-11)13-7/h7H,5-6H2,1-4H3
InChIKey
FOLFDQYCYNSXEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
51.09
TPSA
42.07
LogP / Solubility
WLOGP
1.39
MLOGP
1.23
XLogP3
0.8
Consensus LogP
1.14
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately 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)
-2.95
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
2.5
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