CAS RN: 115845-51-7
TOLUENE-4-SULFONIC ACID OXETAN-2-YLMETHYL ESTER
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250129 | 100mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250710 | 1g | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20251108 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250325 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250428 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: SSC-015584
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 | Beijing | Inquiry |
115845-51-7 / oxetan-2-ylmethyl 4-methylbenzenesulfonate
Oxetan-2-ylmethyl 4-methylbenzenesulfonate | Toluene-4-sulfonic acid oxetan-2-ylmethyl ester | oxetan-2-ylmethyl 4-methylbenzene-1-sulfonate
Basic Information
CAS
115845-51-7
Multi CAS
Yes
Molecular Formula
C11H14O4S
Molecular Weight
242.290000
Exact Mass
242.061280
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC2CCO2
InChI
InChI=1S/C11H14O4S/c1-9-2-4-11(5-3-9)16(12,13)15-8-10-6-7-14-10/h2-5,10H,6-8H2,1H3
InChIKey
UYSILSHSVRRBST-UHFFFAOYSA-N
Synonyms
Oxetan-2-ylmethyl 4-methylbenzenesulfonate
Toluene-4-sulfonic acid oxetan-2-ylmethyl ester
oxetan-2-ylmethyl 4-methylbenzene-1-sulfonate
MFCD08544404
2-Oxetanemethanol, 2-(4-methylbenzenesulfonate)
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
58.67
TPSA
52.6
LogP / Solubility
WLOGP
1.49
MLOGP
1.32
XLogP3
1.6
Consensus LogP
1.47
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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