![CAS 1788043-96-8 5,8-Dioxaspiro[3.4]octane-2,2-diyldimethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1788043-96-8.gif)
CAS RN: 1788043-96-8
5,8-Dioxaspiro[3.4]octane-2,2-diyldimethanol
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.20250516 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1788043-96-8
- Purity/Analytical Methods: >99.0%
1788043-96-8 / [2-(hydroxymethyl)-5,8-dioxaspiro[3.4]octan-2-yl]methanol
Basic Information
CAS
1788043-96-8
Multi CAS
No
Molecular Formula
C8H14O4
Molecular Weight
174.190000
Exact Mass
174.089209
SMILES
C1COC2(O1)CC(C2)(CO)CO
InChI
InChI=1S/C8H14O4/c9-5-7(6-10)3-8(4-7)11-1-2-12-8/h9-10H,1-6H2
InChIKey
SSIMJUSNVFTCGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.47
TPSA
58.92
LogP / Solubility
WLOGP
-0.51
MLOGP
-0.45
XLogP3
-1.1
Consensus LogP
-0.69
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.62
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very 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)
-4.14
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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