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CAS 206551-41-9 Methyl 3-Bromo-2-fluorobenzoate molecular structure lightbox
CAS RN: 206551-41-9

Methyl 3-Bromo-2-fluorobenzoate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251003 5g In stock Shanghai Inquiry
  • Product code: SSC-097319
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 206551-41-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Shenzhen Inquiry
5g >98% 5 In Stock Shanghai Inquiry
10g >98% 5 In Stock Shanghai Inquiry
25g >98% 5 In Stock Hong Kong Inquiry
100g >98% 2 In Stock Beijing Inquiry
500g >98% 0 Out of Stock Shanghai Inquiry

206551-41-9 / methyl 3-bromo-2-fluorobenzoate

Standard CAS: 206551-41-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206551-41-9
Multi CAS
No
Molecular Formula
C8H6BrFO2
Molecular Weight
233.030000
Exact Mass
231.953520
SMILES
COC(=O)C1=C(C(=CC=C1)Br)F
InChI
InChI=1S/C8H6BrFO2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3
InChIKey
ZWOFHFOFKBYRHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.44
TPSA
26.3

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
2.5
Consensus LogP
2.32
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
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)
-2.46

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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