CAS RN: 928149-12-6
(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methyl 4-methylbenzenesulfonate
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.20251230 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-206677
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.25g, 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 2 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 1 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 0.1g | -- | 0 Out of Stock | Beijing | Inquiry |
| 0.1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
928149-12-6 / (1,1-dioxothian-4-yl)methyl 4-methylbenzenesulfonate
Basic Information
CAS
928149-12-6
Multi CAS
Yes
Molecular Formula
C13H18O5S2
Molecular Weight
318.400000
Exact Mass
318.059566
InChI
InChI=1S/C13H18O5S2/c1-11-2-4-13(5-3-11)20(16,17)18-10-12-6-8-19(14,15)9-7-12/h2-5,12H,6-10H2,1H3
InChIKey
GXGVEFJXZNTKAU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
75.69
TPSA
77.51
LogP / Solubility
WLOGP
1.53
MLOGP
1.36
XLogP3
1.6
Consensus LogP
1.5
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly 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)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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