![CAS 26593-41-9 diethyl 2-oxaspiro[3.3]heptane-6,6-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/26593-41-9.gif)
CAS RN: 26593-41-9
diethyl 2-oxaspiro[3.3]heptane-6,6-dicarboxylate
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-124625
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
26593-41-9 / diethyl 2-oxaspiro[3.3]heptane-6,6-dicarboxylate
Basic Information
CAS
26593-41-9
Multi CAS
No
Molecular Formula
C12H18O5
Molecular Weight
242.270000
Exact Mass
242.115424
SMILES
CCOC(=O)C1(CC2(C1)COC2)C(=O)OCC
InChI
InChI=1S/C12H18O5/c1-3-16-9(13)12(10(14)17-4-2)5-11(6-12)7-15-8-11/h3-8H2,1-2H3
InChIKey
GSVZVHAUSWYWOS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
58.19
TPSA
61.83
LogP / Solubility
WLOGP
0.91
MLOGP
0.81
XLogP3
1
Consensus LogP
0.91
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-3.55
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
2.5
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