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CAS 29578-39-0 3-Bromo-5-fluoroanisole molecular structure lightbox
CAS RN: 29578-39-0

3-Bromo-5-fluoroanisole

Product Availability

Choose a grade to view its available package options.

7 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250825 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250215 100g In stock Inquiry
Batchno.20250720 10g Out of stock Inquiry
Batchno.20260304 1g In stock Inquiry
Batchno.20250625 25g In stock Inquiry
Batchno.20260206 500g Out of stock Inquiry
Batchno.20250201 5g In stock Inquiry
  • Product code: SSC-132572
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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, 5g, 10g, 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 29578-39-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

29578-39-0 / 1-bromo-3-fluoro-5-methoxybenzene

Standard CAS: 29578-39-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29578-39-0
Multi CAS
Yes
Molecular Formula
BC7H6ORf
Molecular Weight
205.020000
Exact Mass
203.958610
InChI
InChI=1S/C7H6BrFO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChIKey
XVNQVSGOIUYOPB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
40.65
TPSA
9.23

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
2.7
Consensus LogP
2.53
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13

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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