CAS RN: 68968-12-7
Ethanone, 2-(3-chlorophenyl)-1-(4-chlorophenyl)-
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.20250124 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS68968-12-7
- Purity/Analytical Methods: >99.0%
68968-12-7 / 2-(3-chlorophenyl)-1-(4-chlorophenyl)ethanone
Basic Information
CAS
68968-12-7
Multi CAS
No
Molecular Formula
C14H10CL2O
Molecular Weight
265.100000
Exact Mass
264.010870
InChI
InChI=1S/C14H10Cl2O/c15-12-6-4-11(5-7-12)14(17)9-10-2-1-3-13(16)8-10/h1-8H,9H2
InChIKey
VRURULNDNOWMGE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
70.94
TPSA
17.07
LogP / Solubility
WLOGP
4.42
MLOGP
3.9
XLogP3
4.4
Consensus LogP
4.24
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
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)
-1.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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