![CAS 96824-28-1 2-[(4-Acetylphenyl)methyl]cyclopentan-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/96824-28-1.gif)
CAS RN: 96824-28-1
2-[(4-Acetylphenyl)methyl]cyclopentan-1-one
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.20260402 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS96824-28-1
- Purity/Analytical Methods: >99.0%
96824-28-1 / 2-[(4-acetylphenyl)methyl]cyclopentan-1-one
Basic Information
CAS
96824-28-1
Multi CAS
No
Molecular Formula
C14H16O2
Molecular Weight
216.270000
Exact Mass
216.115030
InChI
InChI=1S/C14H16O2/c1-10(15)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,13H,2-4,9H2,1H3
InChIKey
SSPNGIPDONSHKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
62.5
TPSA
34.14
LogP / Solubility
WLOGP
2.8
MLOGP
2.47
XLogP3
2.1
Consensus LogP
2.46
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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