![CAS 2306272-34-2 2-oxa-6-azaspiro[3.3]heptane-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB14896189(1).gif)
CAS RN: 2306272-34-2
2-oxa-6-azaspiro[3.3]heptane-1-carboxylic acid
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.20260208 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS2306272-34-2
- Purity/Analytical Methods: >99.0%
2306272-34-2 / 2-oxa-6-azaspiro[3.3]heptane-3-carboxylic acid
Basic Information
CAS
2306272-34-2
Multi CAS
No
Molecular Formula
C6H9NO3
Molecular Weight
143.140000
Exact Mass
143.058243
SMILES
C1C2(CN1)COC2C(=O)O
InChI
InChI=1S/C6H9NO3/c8-5(9)4-6(3-10-4)1-7-2-6/h4,7H,1-3H2,(H,8,9)
InChIKey
MACFTFFPQDZLGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
32.68
TPSA
58.56
LogP / Solubility
WLOGP
-0.94
MLOGP
-0.83
XLogP3
-3.3
Consensus LogP
-1.69
Log S (ESOL)
-0.07
Class (ESOL)
Very soluble
Log S (Ali)
-0.05
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.07
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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