![CAS 1909336-43-1 2-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1909336-43-1.gif)
CAS RN: 1909336-43-1
2-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide hydrochloride
- Product code: SSC-089478
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 | Beijing | Inquiry |
1909336-43-1 / 2lambda6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide;hydrochloride
Basic Information
CAS
1909336-43-1
Multi CAS
No
Molecular Formula
C5H10ClNO2S
Molecular Weight
183.660000
Exact Mass
183.012077
SMILES
C1C2CNC1CS2(=O)=O.Cl
InChI
InChI=1S/C5H9NO2S.ClH/c7-9(8)3-4-1-5(9)2-6-4;/h4-6H,1-3H2;1H
InChIKey
CCLLUNMSIFQAIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.23
TPSA
46.17
LogP / Solubility
WLOGP
-0.43
MLOGP
-0.38
XLogP3
-0.43
Consensus LogP
-0.41
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.49
Class (SILICOS-IT)
Very 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)
-4.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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