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CAS 78542-75-3 AcetaMide, 2,2,2-trifluoro-N-(phenylsulfonyl)- molecular structure lightbox
CAS RN: 78542-75-3

AcetaMide, 2,2,2-trifluoro-N-(phenylsulfonyl)-

  • Product code: SSC-187916
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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: ≥95%
  • 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 78542-75-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

78542-75-3 / N-(benzenesulfonyl)-2,2,2-trifluoroacetamide

Standard CAS: 78542-75-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
78542-75-3
Multi CAS
No
Molecular Formula
C8F3H6NO3S
Molecular Weight
253.200000
Exact Mass
253.002049
InChI
InChI=1S/C8H6F3NO3S/c9-8(10,11)7(13)12-16(14,15)6-4-2-1-3-5-6/h1-5H,(H,12,13)
InChIKey
ZFGMVELNIPALKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.83
TPSA
63.24

LogP / Solubility

WLOGP
1.05
MLOGP
0.93
XLogP3
2
Consensus LogP
1.33
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52

Drug-likeness / Medicinal Chemistry

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

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