![CAS 769167-53-5 (1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one Methanesulfonate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/769167-53-5.gif)
CAS RN: 769167-53-5
(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one Methanesulfonate
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250530 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS769167-53-5
- Purity/Analytical Methods: >99.0%
769167-53-5 / methanesulfonic acid;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
Basic Information
CAS
769167-53-5
Multi CAS
Yes
Molecular Formula
C6H11NO5S
Molecular Weight
209.220000
Exact Mass
209.035794
InChI
InChI=1S/C5H7NO2.CH4O3S/c7-5-4-1-3(8-5)2-6-4;1-5(2,3)4/h3-4,6H,1-2H2;1H3,(H,2,3,4)/t3-,4-;/m0./s1
InChIKey
GEZDOTKDUXCCGP-MMALYQPHSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.83
H-bond acceptors
5
H-bond donors
2
Molar refractivity
43.76
TPSA
92.7
LogP / Solubility
WLOGP
-1.22
MLOGP
-1.07
XLogP3
-1.22
Consensus LogP
-1.17
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
-0.39
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.01
Class (SILICOS-IT)
Very 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)
-4.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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