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CAS 2091562-32-0 Methyl 2-(6-Bromobenzofuran-3(2H)-ylidene)acetate molecular structure lightbox
CAS RN: 2091562-32-0

Methyl 2-(6-Bromobenzofuran-3(2H)-ylidene)acetate

  • Product code: SSC-098756
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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: 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 2091562-32-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Beijing Inquiry
5g ≥95% 2 In Stock Shanghai Inquiry

2091562-32-0 / methyl 2-(6-bromo-1-benzofuran-3-ylidene)acetate

Standard CAS: 2091562-32-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2091562-32-0
Multi CAS
No
Molecular Formula
C11H9BrO3
Molecular Weight
269.090000
Exact Mass
267.973510
SMILES
COC(=O)C=C1COC2=C1C=CC(=C2)Br
InChI
InChI=1S/C11H9BrO3/c1-14-11(13)4-7-6-15-10-5-8(12)2-3-9(7)10/h2-5H,6H2,1H3
InChIKey
DEQUZGMJZMPDRQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
59.63
TPSA
35.53

LogP / Solubility

WLOGP
2.4
MLOGP
2.12
XLogP3
2.1
Consensus LogP
2.21
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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