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CAS 786-31-2 2,2,3,3-TETRAFLUOROPROPYL 4-TOLUENESULFONATE molecular structure lightbox
CAS RN: 786-31-2

2,2,3,3-TETRAFLUOROPROPYL 4-TOLUENESULFONATE

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260523 100g In stock Shenzhen Inquiry
Batchno.20250915 10g In stock Shanghai Inquiry
Batchno.20260604 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251211 25g In stock Shanghai Inquiry
Batchno.20250102 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260205 1g / 5g / 10g / 50g / 250g Confirm by inquiry Shanghai, Guangdong 15 business days Inquiry
  • Product code: SSC-187973
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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: 25g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 786-31-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

786-31-2 / 2,2,3,3-tetrafluoropropyl 4-methylbenzenesulfonate

Standard CAS: 786-31-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
786-31-2
Multi CAS
Yes
Molecular Formula
C10F4H10O3S
Molecular Weight
286.250000
Exact Mass
286.028678
InChI
InChI=1S/C10H10F4O3S/c1-7-2-4-8(5-3-7)18(15,16)17-6-10(13,14)9(11)12/h2-5,9H,6H2,1H3
InChIKey
IMDNPHAMGJIKNV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
55.27
TPSA
43.37

LogP / Solubility

WLOGP
2.6
MLOGP
2.3
XLogP3
3
Consensus LogP
2.63
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly 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)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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