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CAS 877383-84-1 4-bromo-N-cyclopropyl-2-fluorobenzamide molecular structure lightbox
CAS RN: 877383-84-1

4-bromo-N-cyclopropyl-2-fluorobenzamide

  • Product code: SSC-198001
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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 877383-84-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

877383-84-1 / 4-bromo-N-cyclopropyl-2-fluorobenzamide

Standard CAS: 877383-84-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
877383-84-1
Multi CAS
No
Molecular Formula
BC10H9NORf
Molecular Weight
258.090000
Exact Mass
256.985150
InChI
InChI=1S/C10H9BrFNO/c11-6-1-4-8(9(12)5-6)10(14)13-7-2-3-7/h1,4-5,7H,2-3H2,(H,13,14)
InChIKey
CGOQTUADHAVJLX-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
H-bond donors
1
Molar refractivity
54.59
TPSA
29.1

LogP / Solubility

WLOGP
2.48
MLOGP
2.19
XLogP3
2.5
Consensus LogP
2.39
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-2.53

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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