![CAS 1380300-63-9 1-Methyl-1,8-diazaspiro[4.5]decan-2-onehydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02698229(1).gif)
CAS RN: 1380300-63-9
1-Methyl-1,8-diazaspiro[4.5]decan-2-onehydrochloride
- Product code: SSC-047997
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 |
1380300-63-9 / 1-methyl-1,8-diazaspiro[4.5]decan-2-one;hydrochloride
Basic Information
CAS
1380300-63-9
Multi CAS
No
Molecular Formula
C9H17ClN2O
Molecular Weight
204.700000
Exact Mass
204.102941
SMILES
CN1C(=O)CCC12CCNCC2.Cl
InChI
InChI=1S/C9H16N2O.ClH/c1-11-8(12)2-3-9(11)4-6-10-7-5-9;/h10H,2-7H2,1H3;1H
InChIKey
LJWYXKGGRCPQJQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.89
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.09
TPSA
32.34
LogP / Solubility
WLOGP
0.78
MLOGP
0.69
XLogP3
0.78
Consensus LogP
0.75
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-3.41
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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