![CAS 1203567-11-6 2-Methyl-2,6-diazaspiro[3.3]heptane oxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1203567-11-6.gif)
CAS RN: 1203567-11-6
2-Methyl-2,6-diazaspiro[3.3]heptane oxalate
- Product code: SSC-021222
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 |
1203567-11-6 / 2-methyl-2,6-diazaspiro[3.3]heptane
2-methyl-2,6-diazaspiro[3.3]heptane | 2-Methyl-2,6-diaza-spiro[3.3]heptane | MFCD22205723
Basic Information
CAS
1203567-11-6
Multi CAS
Yes
Molecular Formula
C6H12N2
Molecular Weight
112.170000
Exact Mass
112.100048
SMILES
CN1CC2(C1)CNC2
InChI
InChI=1S/C6H12N2/c1-8-4-6(5-8)2-7-3-6/h7H,2-5H2,1H3
InChIKey
ALPTZPFVGLVIKK-UHFFFAOYSA-N
Synonyms
2-methyl-2,6-diazaspiro[3.3]heptane
2-Methyl-2,6-diaza-spiro[3.3]heptane
MFCD22205723
2,6-diazaspiro[3.3]heptane, 2-methyl-, bistrifluoroacetate
SCHEMBL612132
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.8
TPSA
15.27
LogP / Solubility
WLOGP
-0.48
MLOGP
-0.43
XLogP3
-0.5
Consensus LogP
-0.47
Log S (ESOL)
-0.23
Class (ESOL)
Very soluble
Log S (Ali)
-0.13
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.01
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-3.74
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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