![CAS 1523606-31-6 2-Oxa-5-azabicyclo[2.2.1]heptane heMioxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1523606-31-6.gif)
CAS RN: 1523606-31-6
2-Oxa-5-azabicyclo[2.2.1]heptane heMioxalate
- Product code: SSC-062191
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 10g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1523606-31-6 / bis(2-oxa-5-azabicyclo[2.2.1]heptane);oxalic acid
Basic Information
CAS
1523606-31-6
Multi CAS
No
Molecular Formula
C12H20N2O6
Molecular Weight
288.300000
Exact Mass
288.132136
SMILES
C1C2CNC1CO2.C1C2CNC1CO2.C(=O)(C(=O)O)O
InChI
InChI=1S/2C5H9NO.C2H2O4/c2*1-4-3-7-5(1)2-6-4;3-1(4)2(5)6/h2*4-6H,1-3H2;(H,3,4)(H,5,6)
InChIKey
YNSNAVAMSHBSLQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
4
Molar refractivity
67.57
TPSA
117.12
LogP / Solubility
WLOGP
-1.35
MLOGP
-1.18
XLogP3
-1.35
Consensus LogP
-1.29
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
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)
-5.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
8
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