CAS RN: 114435-86-8
fluoroMethyl 4-Methylbenzenesulfonate
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250212 | 100mg | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20251104 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260606 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250711 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250227 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
- Product code: SSC-014226
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, 5g, 25g, 10g, 0.1g, 0.25g, 100g
- Available purity: >97%
- Inventory rows with stock: 7
- 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 | >97% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 3 In Stock | Shanghai | Inquiry |
| 25g | >97% | 3 In Stock | Shanghai | Inquiry |
| 10g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 0.1g | >97% | 1 In Stock | Beijing | Inquiry |
| 0.25g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 1 In Stock | Hong Kong | Inquiry |
114435-86-8 / fluoromethanol;4-methylbenzenesulfonic acid
Fluoromethyl 4-methylbenzenesulfonate | RefChem:599431 | 810-390-1
Basic Information
CAS
114435-86-8
Multi CAS
Yes
Molecular Formula
C8H11FO4S
Molecular Weight
222.240000
Exact Mass
222.036208
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.C(O)F
InChI
InChI=1S/C8H9FO3S/c1-7-2-4-8(5-3-7)13(10,11)12-6-9/h2-5H,6H2,1H3
InChIKey
RFCGZPLGJZELOK-UHFFFAOYSA-N
Synonyms
Fluoromethyl 4-methylbenzenesulfonate
RefChem:599431
810-390-1
MFCD20482732
Methanol, 1-fluoro-, 1-(4-methylbenzenesulfonate)
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.19
TPSA
74.6
LogP / Solubility
WLOGP
1.15
MLOGP
1.01
XLogP3
1.15
Consensus LogP
1.1
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-3.26
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
1.5
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