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CAS 790-75-0 2-CHLORO(BIS-3′,5′-TRIFLUOROMETHYLACETANILIDE) molecular structure lightbox
CAS RN: 790-75-0

2-CHLORO(BIS-3′,5′-TRIFLUOROMETHYLACETANILIDE)

  • Product code: SSC-188219
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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: 5g
  • 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 790-75-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

790-75-0 / N-[3,5-bis(trifluoromethyl)phenyl]-2-chloroacetamide

Standard CAS: 790-75-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
790-75-0
Multi CAS
No
Molecular Formula
C10H6CLF6NO
Molecular Weight
305.600000
Exact Mass
305.004211
InChI
InChI=1S/C10H6ClF6NO/c11-4-8(19)18-7-2-5(9(12,13)14)1-6(3-7)10(15,16)17/h1-3H,4H2,(H,18,19)
InChIKey
LEYIUTOAQOUAFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.8
TPSA
29.1

LogP / Solubility

WLOGP
3.9
MLOGP
3.45
XLogP3
4.3
Consensus LogP
3.88
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81

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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