![CAS 916159-85-8 8-(cyclopropylmethyl)-1,4-Dioxaspiro[4.5]decane-8-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/916159-85-8.gif)
CAS RN: 916159-85-8
8-(cyclopropylmethyl)-1,4-Dioxaspiro[4.5]decane-8-carbonitrile
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.20251123 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS916159-85-8
- Purity/Analytical Methods: >99.0%
916159-85-8 / 8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
Basic Information
CAS
916159-85-8
Multi CAS
No
Molecular Formula
C13H19NO2
Molecular Weight
221.290000
Exact Mass
221.141579
InChI
InChI=1S/C13H19NO2/c14-10-12(9-11-1-2-11)3-5-13(6-4-12)15-7-8-16-13/h11H,1-9H2
InChIKey
ADFQRLFDDKIGAG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
58.49
TPSA
42.25
LogP / Solubility
WLOGP
2.61
MLOGP
2.3
XLogP3
1.9
Consensus LogP
2.27
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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