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CAS 1150271-26-3 Methyl2,5-dibromofuran-3-carboxylate molecular structure lightbox
CAS RN: 1150271-26-3

Methyl2,5-dibromofuran-3-carboxylate

  • Product code: SSC-014736
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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: ≥97%
  • Inventory rows with stock: 4
  • 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 1150271-26-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Shenzhen Inquiry
0.25g ≥97% 1 In Stock Beijing Inquiry
1g ≥97% 1 In Stock Beijing Inquiry
5g ≥97% 1 In Stock Shanghai Inquiry

1150271-26-3 / methyl 2,5-dibromofuran-3-carboxylate

METHYL 2,5-DIBROMOFURAN-3-CARBOXYLATE | MFCD12026056 | 3-Furancarboxylic acid, 2,5-dibromo-, methyl ester

Standard CAS: 1150271-26-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1150271-26-3
Multi CAS
No
Molecular Formula
C6H4Br2O3
Molecular Weight
283.900000
Exact Mass
283.850670
SMILES
COC(=O)C1=C(OC(=C1)Br)Br
InChI
InChI=1S/C6H4Br2O3/c1-10-6(9)3-2-4(7)11-5(3)8/h2H,1H3
InChIKey
FZPNRTSFOSRSHI-UHFFFAOYSA-N
Synonyms
METHYL 2,5-DIBROMOFURAN-3-CARBOXYLATE MFCD12026056 3-Furancarboxylic acid, 2,5-dibromo-, methyl ester METHYL2,5-DIBROMOFURAN-3-CARBOXYLATE SCHEMBL625321

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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