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CAS 777-44-6 3-(Trifluoromethyl)benzenesulfonyl Chloride molecular structure lightbox
CAS RN: 777-44-6

3-(Trifluoromethyl)benzenesulfonyl Chloride

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250802 100g In stock Shanghai, Shenzhen Inquiry
Batchno.20250926 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250605 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251006 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260308 500g In stock Shanghai Inquiry
Batchno.20251021 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-187217
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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: 10g, 5g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 777-44-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >95% 2 In Stock Shanghai Inquiry
5g >95% 1 In Stock Beijing Inquiry
25g >95% 0 Out of Stock Hong Kong Inquiry
100g >95% 0 Out of Stock Shanghai Inquiry

777-44-6 / 3-(trifluoromethyl)benzenesulfonyl chloride

Standard CAS: 777-44-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
777-44-6
Multi CAS
Yes
Molecular Formula
C7H4CLF3O2S
Molecular Weight
244.620000
Exact Mass
243.957263
InChI
InChI=1S/C7H4ClF3O2S/c8-14(12,13)6-3-1-2-5(4-6)7(9,10)11/h1-4H
InChIKey
ONCAZCNPWWQQMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
44.48
TPSA
34.14

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.8
Consensus LogP
2.58
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-2.34

Drug-likeness / Medicinal Chemistry

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

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