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CAS 2227206-54-2 7-bromo-4-fluoro-1-benzofuran-5-carboxylic acid molecular structure lightbox
CAS RN: 2227206-54-2

7-bromo-4-fluoro-1-benzofuran-5-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250203 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-107491
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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 2227206-54-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2227206-54-2 / 7-bromo-4-fluoro-1-benzofuran-5-carboxylic acid

Standard CAS: 2227206-54-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2227206-54-2
Multi CAS
No
Molecular Formula
C9H4BrFO3
Molecular Weight
259.030000
Exact Mass
257.932780
SMILES
C1=COC2=C(C=C(C(=C21)F)C(=O)O)Br
InChI
InChI=1S/C9H4BrFO3/c10-6-3-5(9(12)13)7(11)4-1-2-14-8(4)6/h1-3H,(H,12,13)
InChIKey
LRLWRVKUGNQOAY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.83
TPSA
50.44

LogP / Solubility

WLOGP
3.03
MLOGP
2.68
XLogP3
2.6
Consensus LogP
2.77
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15

Drug-likeness / Medicinal Chemistry

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

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