![CAS 56465-82-8 1-[4-(Trifluoromethoxy)phenyl]butan-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/56465-82-8.gif)
CAS RN: 56465-82-8
1-[4-(Trifluoromethoxy)phenyl]butan-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.20250511 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS56465-82-8
- Purity/Analytical Methods: >99.0%
56465-82-8 / 1-[4-(trifluoromethoxy)phenyl]butan-1-one
Basic Information
CAS
56465-82-8
Multi CAS
No
Molecular Formula
C11F3H11O2
Molecular Weight
232.200000
Exact Mass
232.071114
InChI
InChI=1S/C11H11F3O2/c1-2-3-10(15)8-4-6-9(7-5-8)16-11(12,13)14/h4-7H,2-3H2,1H3
InChIKey
LTDVRAOOJBROPS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
52.36
TPSA
26.3
LogP / Solubility
WLOGP
3.57
MLOGP
3.14
XLogP3
3.6
Consensus LogP
3.44
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly 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)
-1.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 56468-23-6 8-chloroiMidazo[1,5-a]pyrazine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
-
-
3,7,8-Tri-O-methylellagic acid 2-O-rutinoside
- CAS RN: 56470-18-9
- Product Code: starshine_CAS56470-18-9
- Purity/Analytical method: >99.0%
-
-
[S,(+)]-3,4-Dihydro-4,9-dihydroxy-2,2-dimethyl-2H-naphtho[2,3-b]pyran-5,10-dione
- CAS RN: 56473-67-7
- Product Code: starshine_CAS56473-67-7
- Purity/Analytical method: >99.0%
![CAS 56468-23-6 8-chloroiMidazo[1,5-a]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/56468-23-6.gif)
![CAS 56468-24-7 8-CHLORO-3-METHYLIMIDAZO[1,5-A]PYRAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/56468-24-7.gif)
![CAS 56473-67-7 [S,(+)]-3,4-Dihydro-4,9-dihydroxy-2,2-dimethyl-2H-naphtho[2,3-b]pyran-5,10-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/56473-67-7.gif)