![CAS 1158749-83-7 1,6-Diazaspiro[3.4]octane, 1-Methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1158749-83-7.gif)
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 |
1158749-83-7 / 1-methyl-1,7-diazaspiro[3.4]octane
1-Methyl-1,6-diazaspiro[3.4]octane | 1-methyl-1,7-diazaspiro[3.4]octane | MFCD12406513
Basic Information
CAS
1158749-83-7
Multi CAS
Yes
Molecular Formula
C7H14N2
Molecular Weight
126.200000
Exact Mass
126.115698
SMILES
CN1CCC12CCNC2
InChI
InChI=1S/C7H14N2/c1-9-5-3-7(9)2-4-8-6-7/h8H,2-6H2,1H3
InChIKey
GFANVZVARJDUIM-UHFFFAOYSA-N
Synonyms
1-Methyl-1,6-diazaspiro[3.4]octane
1-methyl-1,7-diazaspiro[3.4]octane
MFCD12406513
SCHEMBL14161267
DTXSID701297706
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.46
TPSA
15.27
LogP / Solubility
WLOGP
0.05
MLOGP
0.04
Consensus LogP
0.03
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
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)
-3.45
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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