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CAS 22966-30-9 (2E)-1,3-Bis(4-chlorophenyl)-2-propene-1-one molecular structure lightbox
CAS RN: 22966-30-9

(2E)-1,3-Bis(4-chlorophenyl)-2-propene-1-one

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250208 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260513 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS22966-30-9
  • Purity/Analytical Methods: >99.0%
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22966-30-9 / 1,3-bis(4-chlorophenyl)prop-2-en-1-one

Standard CAS: 22966-30-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22966-30-9
Multi CAS
No
Molecular Formula
C15H10Cl2O
Molecular Weight
277.100000
Exact Mass
276.010870
SMILES
C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H10Cl2O/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
YMEMCRBNZSLQCQ-XCVCLJGOSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
76.27
TPSA
17.07

LogP / Solubility

WLOGP
4.89
MLOGP
4.31
XLogP3
4.3
Consensus LogP
4.5
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
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)
-0.94

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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