![CAS 832114-06-4 (4-METHYL-PIPERAZINE-1-YL)-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-PHENYL]-METHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/832114-06-4.gif)
CAS RN: 832114-06-4
(4-METHYL-PIPERAZINE-1-YL)-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-PHENYL]-METHANONE
- Product code: SSC-191102
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
832114-06-4 / (4-methylpiperazin-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
Basic Information
CAS
832114-06-4
Multi CAS
Yes
Molecular Formula
BC18H27N2O3
Molecular Weight
330.200000
Exact Mass
330.211473
InChI
InChI=1S/C18H27BN2O3/c1-17(2)18(3,4)24-19(23-17)15-8-6-14(7-9-15)16(22)21-12-10-20(5)11-13-21/h6-9H,10-13H2,1-5H3
InChIKey
TXCDVBDHDQAWLR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
95.56
TPSA
42.01
LogP / Solubility
WLOGP
1.37
MLOGP
1.22
XLogP3
1.37
Consensus LogP
1.32
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
3-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID, PINACOL ESTER
- CAS RN: 832114-07-5
- Product Code: SSC-191103
-
DIMETHYL[2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]AMINE
- CAS RN: 832114-08-6
- Product Code: SSC-191104
-
1-METHYL-5-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL]PIPERAZINE
- CAS RN: 832114-09-7
- Product Code: SSC-191105
-
N-(3-DIMETHYLAMINOPROPYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZAMIDE
- CAS RN: 832114-10-0
- Product Code: SSC-191106
-
N-(2-DIMETHYLAMINOETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZAMIDE
- CAS RN: 832114-11-1
- Product Code: SSC-191107
-
![CAS 832114-08-6 DIMETHYL[2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/832114-08-6.gif)
![CAS 832114-09-7 1-METHYL-5-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL]PIPERAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/832114-09-7.gif)
