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CAS 54113-41-6 Methyl 4,5-Dibromo-2-furancarboxylate molecular structure lightbox
CAS RN: 54113-41-6

Methyl 4,5-Dibromo-2-furancarboxylate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250827 100mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251119 1g In stock Tianjin, Chengdu Inquiry
Batchno.20250202 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260430 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-161671
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 54113-41-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

54113-41-6 / methyl 4,5-dibromofuran-2-carboxylate

Standard CAS: 54113-41-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54113-41-6
Multi CAS
No
Molecular Formula
C6H4BR2O3
Molecular Weight
283.900000
Exact Mass
283.850670
InChI
InChI=1S/C6H4Br2O3/c1-10-6(9)4-2-3(7)5(8)11-4/h2H,1H3
InChIKey
OIOPUTCGINQNRL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
45.45
TPSA
39.44

LogP / Solubility

WLOGP
2.59
MLOGP
2.29
XLogP3
2.9
Consensus LogP
2.59
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
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)
-2.61

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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