CAS RN: 22966-11-6
2-Chlorochalcone
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.20250915 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS22966-11-6
- Purity/Analytical Methods: >99.0%
22966-11-6 / 3-(2-chlorophenyl)-1-phenylprop-2-en-1-one
Basic Information
CAS
22966-11-6
Multi CAS
No
Molecular Formula
C15H11ClO
Molecular Weight
242.700000
Exact Mass
242.049843
SMILES
C1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2Cl
InChI
InChI=1S/C15H11ClO/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-11H/b11-10+
InChIKey
IGSYOTSSTZUGIA-ZHACJKMWSA-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
4.4
Consensus LogP
4.12
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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