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CAS 26018-66-6 6-Fluorobenzofuran-2-carboxylic acid molecular structure lightbox
CAS RN: 26018-66-6

6-Fluorobenzofuran-2-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260613 100mg / 250mg / 1g / 5g Out of stock 3-5 business days Inquiry
  • Product code: SSC-122831
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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 26018-66-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

26018-66-6 / 6-fluoro-1-benzofuran-2-carboxylic acid

Standard CAS: 26018-66-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26018-66-6
Multi CAS
No
Molecular Formula
C9H5FO3
Molecular Weight
180.130000
Exact Mass
180.022272
SMILES
C1=CC2=C(C=C1F)OC(=C2)C(=O)O
InChI
InChI=1S/C9H5FO3/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4H,(H,11,12)
InChIKey
GWBDBIRTRPIXJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.13
TPSA
50.44

LogP / Solubility

WLOGP
2.27
MLOGP
2
XLogP3
2.5
Consensus LogP
2.26
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21

Drug-likeness / Medicinal Chemistry

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

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