![CAS 150019-56-0 8-(benzo[d][1,3]dioxol-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/150019-56-0.gif)
CAS RN: 150019-56-0
8-(benzo[d][1,3]dioxol-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250809 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS150019-56-0
- Purity/Analytical Methods: >99.0%
150019-56-0 / 8-(1,3-benzodioxol-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol
Basic Information
CAS
150019-56-0
Multi CAS
No
Molecular Formula
C15H18O5
Molecular Weight
278.300000
Exact Mass
278.115424
SMILES
C1CC2(CCC1(C3=CC4=C(C=C3)OCO4)O)OCCO2
InChI
InChI=1S/C15H18O5/c16-14(3-5-15(6-4-14)19-7-8-20-15)11-1-2-12-13(9-11)18-10-17-12/h1-2,9,16H,3-8,10H2
InChIKey
PLYRZRKIOHFLCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
69.56
TPSA
57.15
LogP / Solubility
WLOGP
1.92
MLOGP
1.7
XLogP3
1.4
Consensus LogP
1.67
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly 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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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