![CAS 934558-34-6 1-[4-(4,4,6-Trimethyl-1,3,2-dioxaborinan-2-yl)phenyl]ethan-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/934558-34-6.gif)
CAS RN: 934558-34-6
1-[4-(4,4,6-Trimethyl-1,3,2-dioxaborinan-2-yl)phenyl]ethan-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.20260311 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS934558-34-6
- Purity/Analytical Methods: >99.0%
934558-34-6 / 1-[4-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)phenyl]ethanone
Basic Information
CAS
934558-34-6
Multi CAS
No
Molecular Formula
BC14H19O3
Molecular Weight
246.110000
Exact Mass
246.142725
InChI
InChI=1S/C14H19BO3/c1-10-9-14(3,4)18-15(17-10)13-7-5-12(6-8-13)11(2)16/h5-8,10H,9H2,1-4H3
InChIKey
RVTCCIACRKFFJV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
72.16
TPSA
35.53
LogP / Solubility
WLOGP
2.19
MLOGP
1.93
XLogP3
2.19
Consensus LogP
2.1
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.67
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
2
Customers Also Viewed
-
1,8-Naphthyridin-2(1H)-one, 7-bromo-
- CAS RN: 934559-24-7
- Product Code: starshine_CAS934559-24-7
- Purity/Analytical method: >99.0%
-
-
-
1H-Pyrrolo[2,3-b]pyridine, 6-chloro-1-Methyl-
- CAS RN: 934568-25-9
- Product Code: SSC-207688
-
[4-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl]methanol
- CAS RN: 934570-55-5
- Product Code: SSC-207694
-
1-(2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethyl)piperidine
- CAS RN: 934586-49-9
- Product Code: SSC-207695
![CAS 934560-92-6 1H-Pyrazolo[3,4-b]pyridine, 6-broMo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/934560-92-6.gif)
![CAS 934568-25-9 1H-Pyrrolo[2,3-b]pyridine, 6-chloro-1-Methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/934568-25-9.gif)
![CAS 934570-55-5 [4-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl]methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/934570-55-5.gif)
