![CAS 2095409-78-0 2-Oxaspiro[3.3]heptane-6-carboxylic acid, sodium salt (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2095409-78-0.png)
CAS RN: 2095409-78-0
2-Oxaspiro[3.3]heptane-6-carboxylic acid, sodium salt (1:1)
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250909 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250606 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry | |
| Batchno.20250717 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250923 | 250mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250402 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-099326
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2095409-78-0 / sodium 2-oxaspiro[3.3]heptane-6-carboxylate
Basic Information
CAS
2095409-78-0
Multi CAS
No
Molecular Formula
C7H9NaO3
Molecular Weight
164.130000
Exact Mass
164.044938
SMILES
C1C(CC12COC2)C(=O)[O-].[Na+]
InChI
InChI=1S/C7H10O3.Na/c8-6(9)5-1-7(2-5)3-10-4-7;/h5H,1-4H2,(H,8,9);/q;+1/p-1
InChIKey
NCARXUNPYMJORB-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
30.98
TPSA
49.36
LogP / Solubility
WLOGP
-3.83
MLOGP
-3.38
XLogP3
-3.83
Consensus LogP
-3.68
Log S (ESOL)
1.62
Class (ESOL)
Highly soluble
Log S (Ali)
1.86
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.33
Class (SILICOS-IT)
Highly 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)
-6.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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