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CAS 204205-33-4 2-Bromo-2-(2-fluorophenyl)-1-cyclopropylethanone molecular structure lightbox
CAS RN: 204205-33-4

2-Bromo-2-(2-fluorophenyl)-1-cyclopropylethanone

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251004 5g / 25g / 100g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260622 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Guangdong Inquiry
  • Product code: SSC-096058
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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: 25g
  • 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 204205-33-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

204205-33-4 / 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone

Standard CAS: 204205-33-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204205-33-4
Multi CAS
No
Molecular Formula
C11H10BrFO
Molecular Weight
257.100000
Exact Mass
255.989910
SMILES
C1CC1C(=O)C(C2=CC=CC=C2F)Br
InChI
InChI=1S/C11H10BrFO/c12-10(11(14)7-5-6-7)8-3-1-2-4-9(8)13/h1-4,7,10H,5-6H2
InChIKey
LMCZCCDXOZGIND-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
55.8
TPSA
17.07

LogP / Solubility

WLOGP
3.24
MLOGP
2.86
XLogP3
3
Consensus LogP
3.03
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
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)
-1.99

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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