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CAS 1153133-08-4 5-(5-Bromo-2-fluorophenyl)furan-2-carbaldehyde molecular structure lightbox
CAS RN: 1153133-08-4

5-(5-Bromo-2-fluorophenyl)furan-2-carbaldehyde

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260420 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: LINB913830
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1153133-08-4 / 5-(5-bromo-2-fluorophenyl)furan-2-carbaldehyde

5-(5-bromo-2-fluorophenyl)furan-2-carbaldehyde | EN300-1586281

Standard CAS: 1153133-08-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1153133-08-4
Multi CAS
No
Molecular Formula
C11H6BrFO2
Molecular Weight
269.070000
Exact Mass
267.953520
SMILES
C1=CC(=C(C=C1Br)C2=CC=C(O2)C=O)F
InChI
InChI=1S/C11H6BrFO2/c12-7-1-3-10(13)9(5-7)11-4-2-8(6-14)15-11/h1-6H
InChIKey
WGCUNSBGIOCDMR-UHFFFAOYSA-N
Synonyms
5-(5-bromo-2-fluorophenyl)furan-2-carbaldehyde EN300-1586281

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
57.19
TPSA
30.21

LogP / Solubility

WLOGP
3.66
MLOGP
3.23
XLogP3
3.2
Consensus LogP
3.36
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly 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)
-1.76

Drug-likeness / Medicinal Chemistry

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

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