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CAS 2195-44-0 2-BROMO-N-(4-FLUORO-PHENYL)-ACETAMIDE molecular structure lightbox
CAS RN: 2195-44-0

2-BROMO-N-(4-FLUORO-PHENYL)-ACETAMIDE

  • Product code: starshine_CAS2195-44-0
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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 2195-44-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g 95%+ 0 Out of Stock Beijing Inquiry

2195-44-0 / 2-bromo-N-(4-fluorophenyl)acetamide

Standard CAS: 2195-44-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2195-44-0
Multi CAS
No
Molecular Formula
C8H7BrFNO
Molecular Weight
232.050000
Exact Mass
230.969500
SMILES
C1=CC(=CC=C1NC(=O)CBr)F
InChI
InChI=1S/C8H7BrFNO/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5H2,(H,11,12)
InChIKey
JXUWYCOGYOQUST-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.82
TPSA
29.1

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
2.3
Consensus LogP
2.12
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
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)
-2.6

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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