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CAS 75999-66-5 2,2,2-Trifluoro-N-(4-methoxyphenyl)acetimidoyl Chloride molecular structure lightbox
CAS RN: 75999-66-5

2,2,2-Trifluoro-N-(4-methoxyphenyl)acetimidoyl Chloride

  • Product code: SSC-185420
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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 75999-66-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

75999-66-5 / 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride

Standard CAS: 75999-66-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75999-66-5
Multi CAS
Yes
Molecular Formula
C9H7CLF3NO
Molecular Weight
237.600000
Exact Mass
237.016826
InChI
InChI=1S/C9H7ClF3NO/c1-15-7-4-2-6(3-5-7)14-8(10)9(11,12)13/h2-5H,1H3
InChIKey
CIRVADWNFWYATJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
52
TPSA
21.59

LogP / Solubility

WLOGP
3.53
MLOGP
3.11
XLogP3
3.7
Consensus LogP
3.45
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
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)
-1.67

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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