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CAS 286836-25-7 7-bromobenzofuran-5-carboxylic acid molecular structure lightbox
CAS RN: 286836-25-7

7-bromobenzofuran-5-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251023 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-130257
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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 286836-25-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

286836-25-7 / 7-bromo-1-benzofuran-5-carboxylic acid

Standard CAS: 286836-25-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
286836-25-7
Multi CAS
No
Molecular Formula
C9H5BrO3
Molecular Weight
241.040000
Exact Mass
239.942210
InChI
InChI=1S/C9H5BrO3/c10-7-4-6(9(11)12)3-5-1-2-13-8(5)7/h1-4H,(H,11,12)
InChIKey
VRGGTOQHOVHAEU-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
50.87
TPSA
50.44

LogP / Solubility

WLOGP
2.89
MLOGP
2.55
XLogP3
2.5
Consensus LogP
2.65
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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)
-2.14

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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