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CAS 402-19-7 2-(METHYLSULFONYL)-5-(TRIFLUOROMETHYL)ANILINE molecular structure lightbox
CAS RN: 402-19-7

2-(METHYLSULFONYL)-5-(TRIFLUOROMETHYL)ANILINE

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250320 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260320 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250521 5g Out of stock Inquiry
  • Product code: SSC-148255
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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: 1g
  • 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 402-19-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

402-19-7 / 2-methylsulfonyl-5-(trifluoromethyl)aniline

Standard CAS: 402-19-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
402-19-7
Multi CAS
No
Molecular Formula
C8F3H8NO2S
Molecular Weight
239.220000
Exact Mass
239.022784
InChI
InChI=1S/C8H8F3NO2S/c1-15(13,14)7-3-2-5(4-6(7)12)8(9,10)11/h2-4H,12H2,1H3
InChIKey
LNEFTABJIPDJBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.97
TPSA
60.16

LogP / Solubility

WLOGP
1.69
MLOGP
1.49
XLogP3
2
Consensus LogP
1.73
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.98

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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