![CAS 40025-75-0 Spiro[1,3-dioxolane-2,3′-[6]oxabicyclo[3.1.0]hexane] (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/40025-75-0.gif)
CAS RN: 40025-75-0
Spiro[1,3-dioxolane-2,3′-[6]oxabicyclo[3.1.0]hexane] (9CI)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260419 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS40025-75-0
- Purity/Analytical Methods: >99.0%
40025-75-0 / spiro[1,3-dioxolane-2,3'-6-oxabicyclo[3.1.0]hexane]
Basic Information
CAS
40025-75-0
Multi CAS
No
Molecular Formula
C7H10O3
Molecular Weight
142.150000
Exact Mass
142.062994
InChI
InChI=1S/C7H10O3/c1-2-9-7(8-1)3-5-6(4-7)10-5/h5-6H,1-4H2
InChIKey
UVCABEDLUSSYQX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
3
Molar refractivity
32.53
TPSA
30.99
LogP / Solubility
WLOGP
0.29
MLOGP
0.25
XLogP3
-0.1
Consensus LogP
0.15
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
Class (SILICOS-IT)
Very 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)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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