![CAS 868280-61-9 Ethanone, 1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/868280-61-9.png)
CAS RN: 868280-61-9
Ethanone, 1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenyl-
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250309 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINE927148
868280-61-9 / 1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylethanone
Basic Information
CAS
868280-61-9
Multi CAS
No
Molecular Formula
C17H16O3
Molecular Weight
268.310000
Exact Mass
268.109944
InChI
InChI=1S/C17H16O3/c18-16(12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)17-19-10-11-20-17/h1-9,17H,10-12H2
InChIKey
TWYPADIZPGCRQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
75.56
TPSA
35.53
LogP / Solubility
WLOGP
3.16
MLOGP
2.79
XLogP3
2.6
Consensus LogP
2.85
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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