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CAS 1239492-22-8 2-BroMo-1-(difluoroMethoxy)-3-fluorobenzene molecular structure lightbox
CAS RN: 1239492-22-8

2-BroMo-1-(difluoroMethoxy)-3-fluorobenzene

Product Availability

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250703 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250804 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250220 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250709 5g Out of stock Inquiry
  • Product code: SSC-027585
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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 1239492-22-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1239492-22-8 / 2-bromo-1-(difluoromethoxy)-3-fluorobenzene

Standard CAS: 1239492-22-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1239492-22-8
Multi CAS
No
Molecular Formula
C7H4BrF3O
Molecular Weight
241.000000
Exact Mass
239.939760
SMILES
C1=CC(=C(C(=C1)F)Br)OC(F)F
InChI
InChI=1S/C7H4BrF3O/c8-6-4(9)2-1-3-5(6)12-7(10)11/h1-3,7H
InChIKey
LTSAMTLMVHEJLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
40.73
TPSA
9.23

LogP / Solubility

WLOGP
3.19
MLOGP
2.81
XLogP3
3.6
Consensus LogP
3.2
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
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)
-1.93

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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