![CAS 1630906-86-3 2,5-Diazaspiro[3.4]octan-6-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42704135.gif)
CAS RN: 1630906-86-3
2,5-Diazaspiro[3.4]octan-6-one hydrochloride
- Product code: SSC-070763
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 | Shenzhen | Inquiry |
1630906-86-3 / 2,5-diazaspiro[3.4]octan-6-one;hydrochloride
Basic Information
CAS
1630906-86-3
Multi CAS
No
Molecular Formula
C6H11ClN2O
Molecular Weight
162.620000
Exact Mass
162.055991
SMILES
C1CC2(CNC2)NC1=O.Cl
InChI
InChI=1S/C6H10N2O.ClH/c9-5-1-2-6(8-5)3-7-4-6;/h7H,1-4H2,(H,8,9);1H
InChIKey
BUUFBVFJCKGHBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.23
TPSA
41.13
LogP / Solubility
WLOGP
-0.34
MLOGP
-0.3
XLogP3
-0.34
Consensus LogP
-0.33
Log S (ESOL)
-0.63
Class (ESOL)
Very soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
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)
-3.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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