![CAS 1433176-83-0 2-methanesulfonyl-2,6-diazaspiro[3.3]heptane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1433176-83-0.gif)
CAS RN: 1433176-83-0
2-methanesulfonyl-2,6-diazaspiro[3.3]heptane
- Product code: SSC-054708
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 |
1433176-83-0 / 2-methylsulfonyl-2,6-diazaspiro[3.3]heptane
Basic Information
CAS
1433176-83-0
Multi CAS
No
Molecular Formula
C6H12N2O2S
Molecular Weight
176.240000
Exact Mass
176.061949
SMILES
CS(=O)(=O)N1CC2(C1)CNC2
InChI
InChI=1S/C6H12N2O2S/c1-11(9,10)8-4-6(5-8)2-7-3-6/h7H,2-5H2,1H3
InChIKey
BEMZHSZVNONKAW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.72
TPSA
49.41
LogP / Solubility
WLOGP
-1.15
MLOGP
-1.01
XLogP3
-1.3
Consensus LogP
-1.15
Log S (ESOL)
-0.14
Class (ESOL)
Very soluble
Log S (Ali)
-0.18
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.03
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.61
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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