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CAS 1222368-75-3 4-Bromo-2-(cyclopropylcarbonyl)-1-fluorobenzene molecular structure lightbox
CAS RN: 1222368-75-3

4-Bromo-2-(cyclopropylcarbonyl)-1-fluorobenzene

  • Product code: SSC-025224
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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 1222368-75-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

1222368-75-3 / (5-bromo-2-fluorophenyl)-cyclopropylmethanone

Standard CAS: 1222368-75-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1222368-75-3
Multi CAS
No
Molecular Formula
C10H8BrFO
Molecular Weight
243.070000
Exact Mass
241.974260
SMILES
C1CC1C(=O)C2=C(C=CC(=C2)Br)F
InChI
InChI=1S/C10H8BrFO/c11-7-3-4-9(12)8(5-7)10(13)6-1-2-6/h3-6H,1-2H2
InChIKey
FTLUBYFIQSKOKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
51.15
TPSA
17.07

LogP / Solubility

WLOGP
3.18
MLOGP
2.8
XLogP3
2.9
Consensus LogP
2.96
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
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)
-1.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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