![CAS 852227-90-8 1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]PYRROLIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/852227-90-8.gif)
CAS RN: 852227-90-8
1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]PYRROLIDINE
- Product code: SSC-193486
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
852227-90-8 / 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine
Basic Information
CAS
852227-90-8
Multi CAS
Yes
Molecular Formula
BC16H24NO2
Molecular Weight
273.200000
Exact Mass
273.190009
InChI
InChI=1S/C16H24BNO2/c1-15(2)16(3,4)20-17(19-15)13-7-9-14(10-8-13)18-11-5-6-12-18/h7-10H,5-6,11-12H2,1-4H3
InChIKey
DWJNNJSONWFVBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
83.61
TPSA
21.7
LogP / Solubility
WLOGP
2.59
MLOGP
2.28
XLogP3
2.59
Consensus LogP
2.49
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-2.55
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
1.5
Customers Also Viewed
-
-
1-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]-1H-PYRAZOLE
- CAS RN: 852227-94-2
- Product Code: SSC-193488
-
1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]PIPERIDINE
- CAS RN: 852227-96-4
- Product Code: SSC-193490
-
1-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]PIPERIDINE
- CAS RN: 852227-97-5
- Product Code: SSC-193491
-
-
2-(PIPERIDIN-1-YL)PYRIDINE-5-BORONIC ACID PINACOL ESTER
- CAS RN: 852228-08-1
- Product Code: SSC-193493
![CAS 852227-94-2 1-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]-1H-PYRAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/852227-94-2.gif)
![CAS 852227-96-4 1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]PIPERIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/852227-96-4.gif)
![CAS 852227-97-5 1-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]PIPERIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/852227-97-5.gif)
