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CAS 132434-53-8 (2E)-1-(4-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one molecular structure lightbox
CAS RN: 132434-53-8

(2E)-1-(4-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250921 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS132434-53-8
  • Purity/Analytical Methods: >99.0%
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132434-53-8 / (E)-1-(4-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one

Standard CAS: 132434-53-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132434-53-8
Multi CAS
No
Molecular Formula
C13H9BrO2
Molecular Weight
277.110000
Exact Mass
275.978590
SMILES
C1=COC(=C1)/C=C/C(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C13H9BrO2/c14-11-5-3-10(4-6-11)13(15)8-7-12-2-1-9-16-12/h1-9H/b8-7+
InChIKey
HMVCKSXANOKQAS-BQYQJAHWSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
66.21
TPSA
30.21

LogP / Solubility

WLOGP
3.94
MLOGP
3.47
XLogP3
3.7
Consensus LogP
3.7
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61

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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