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CAS 1283551-73-4 2-Bromo-N-(4-fluorophenyl)-N-methylpropanamide molecular structure lightbox
CAS RN: 1283551-73-4

2-Bromo-N-(4-fluorophenyl)-N-methylpropanamide

  • Product code: SSC-035651
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 0.1g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1283551-73-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1283551-73-4 / 2-bromo-N-(4-fluorophenyl)-N-methylpropanamide

Standard CAS: 1283551-73-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1283551-73-4
Multi CAS
No
Molecular Formula
C10H11BrFNO
Molecular Weight
260.100000
Exact Mass
259.000800
SMILES
CC(C(=O)N(C)C1=CC=C(C=C1)F)Br
InChI
InChI=1S/C10H11BrFNO/c1-7(11)10(14)13(2)9-5-3-8(12)4-6-9/h3-7H,1-2H3
InChIKey
HMBOPZTWTLUXDP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
58.2
TPSA
20.31

LogP / Solubility

WLOGP
2.57
MLOGP
2.27
XLogP3
2.1
Consensus LogP
2.31
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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