CAS RN: 2403-27-2
(2E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250524 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2403-27-2
- Purity/Analytical Methods: >99.0%
2403-27-2 / 1-(4-bromophenyl)-3-phenylprop-2-en-1-one
Basic Information
CAS
2403-27-2
Multi CAS
No
Molecular Formula
C15H11BrO
Molecular Weight
287.150000
Exact Mass
285.999330
SMILES
C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C15H11BrO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+
InChIKey
QMHDTKUBDZUMNH-IZZDOVSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
73.95
TPSA
17.07
LogP / Solubility
WLOGP
4.35
MLOGP
3.83
XLogP3
3.8
Consensus LogP
3.99
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.49
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)
-1.39
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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- Product Code: starshine_CAS24033-03-2
- Purity/Analytical method: >99.0%
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