CAS RN: 22252-16-0
(E)-β-(4-Chlorophenyl)acrylophenone
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250623 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS22252-16-0
- Purity/Analytical Methods: >99.0%
22252-16-0 / (E)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
Basic Information
CAS
22252-16-0
Multi CAS
No
Molecular Formula
C15H11ClO
Molecular Weight
242.700000
Exact Mass
242.049843
SMILES
C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H11ClO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8+
InChIKey
ABGIIXRNMHUKII-DHZHZOJOSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
71.26
TPSA
17.07
LogP / Solubility
WLOGP
4.24
MLOGP
3.73
XLogP3
3.7
Consensus LogP
3.89
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
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)
-1.19
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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