![CAS 1419101-38-4 3-Thia-9-azabicyclo[3.3.1]nonan-7-one-3,3-Dioxo hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1419101-38-4.gif)
CAS RN: 1419101-38-4
3-Thia-9-azabicyclo[3.3.1]nonan-7-one-3,3-Dioxo hydrochloride
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.20260524 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-052600
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 |
1419101-38-4 / 3,3-dioxo-3lambda6-thia-9-azabicyclo[3.3.1]nonan-7-one;hydrochloride
Basic Information
CAS
1419101-38-4
Multi CAS
No
Molecular Formula
C7H12ClNO3S
Molecular Weight
225.690000
Exact Mass
225.022642
SMILES
C1C2CS(=O)(=O)CC(N2)CC1=O.Cl
InChI
InChI=1S/C7H11NO3S.ClH/c9-7-1-5-3-12(10,11)4-6(2-7)8-5;/h5-6,8H,1-4H2;1H
InChIKey
NNRHVGJXGARRDG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.86
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.85
TPSA
63.24
LogP / Solubility
WLOGP
-0.47
MLOGP
-0.41
XLogP3
-0.47
Consensus LogP
-0.45
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.73
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)
-4.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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