![CAS 1801767-25-8 2-Oxa-8-azaspiro[4.5]decan-4-amine, 3-methyl-, (3S,4S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1801767-25-8.gif)
CAS RN: 1801767-25-8
2-Oxa-8-azaspiro[4.5]decan-4-amine, 3-methyl-, (3S,4S)-
- Product code: SSC-080572
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1801767-25-8 / (3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
Basic Information
CAS
1801767-25-8
Multi CAS
No
Molecular Formula
C9H18N2O
Molecular Weight
170.250000
Exact Mass
170.141913
SMILES
C[C@H]1[C@H](C2(CCNCC2)CO1)N
InChI
InChI=1S/C9H18N2O/c1-7-8(10)9(6-12-7)2-4-11-5-3-9/h7-8,11H,2-6,10H2,1H3/t7-,8+/m0/s1
InChIKey
QORIMRSQLRAMSF-JGVFFNPUSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.93
TPSA
47.28
LogP / Solubility
WLOGP
0.1
MLOGP
0.09
XLogP3
-0.4
Consensus LogP
-0.07
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.85
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)
-3.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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