![CAS 49672-69-7 1,4-Dioxaspiro[4.5]decan-7-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/49672-69-7.gif)
CAS RN: 49672-69-7
1,4-Dioxaspiro[4.5]decan-7-aMine
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.20260205 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS49672-69-7
- Purity/Analytical Methods: >99.0%
49672-69-7 / 1,4-dioxaspiro[4.5]decan-7-amine
Basic Information
CAS
49672-69-7
Multi CAS
No
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
InChI
InChI=1S/C8H15NO2/c9-7-2-1-3-8(6-7)10-4-5-11-8/h7H,1-6,9H2
InChIKey
FHIZBPVFWFMMBG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.08
TPSA
44.48
LogP / Solubility
WLOGP
0.63
MLOGP
0.55
Consensus LogP
0.39
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
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)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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