CAS RN: 126443-21-8
(E)-4,4′-Dibromochalcone
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.20251231 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS126443-21-8
- Purity/Analytical Methods: >99.0%
126443-21-8 / (E)-1,3-bis(4-bromophenyl)prop-2-en-1-one
Basic Information
CAS
126443-21-8
Multi CAS
No
Molecular Formula
C15H10Br2O
Molecular Weight
366.050000
Exact Mass
365.907790
SMILES
C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C15H10Br2O/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H/b10-3+
InChIKey
LRNSKEMAIABAKW-XCVCLJGOSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
81.65
TPSA
17.07
LogP / Solubility
WLOGP
5.11
MLOGP
4.51
XLogP3
4.5
Consensus LogP
4.71
Log S (ESOL)
-5.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.64
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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