![CAS 2225142-06-1 2-Azabicyclo[2.1.1]hexane-2-sulfonyl chloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2225142-06-1.gif)
CAS RN: 2225142-06-1
2-Azabicyclo[2.1.1]hexane-2-sulfonyl chloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251204 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-107136
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2225142-06-1 / 2-azabicyclo[2.1.1]hexane-2-sulfonyl chloride
Basic Information
CAS
2225142-06-1
Multi CAS
No
Molecular Formula
C5H8ClNO2S
Molecular Weight
181.640000
Exact Mass
180.996427
SMILES
C1C2CC1N(C2)S(=O)(=O)Cl
InChI
InChI=1S/C5H8ClNO2S/c6-10(8,9)7-3-4-1-5(7)2-4/h4-5H,1-3H2
InChIKey
WYBZTBKKUCUGCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
37.99
TPSA
37.38
LogP / Solubility
WLOGP
0.56
MLOGP
0.49
XLogP3
0.9
Consensus LogP
0.65
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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