CAS RN: 885693-20-9
1-(tert-Butoxycarbonyl)-1,2,5,6-tetrahydro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- Product code: SSC-199670
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 5g, 10g, 100g, 25g, 500g
- Available purity: >97%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 5 In Stock | Shanghai | Inquiry |
| 5g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 5 In Stock | Shanghai | Inquiry |
| 100g | >97% | 4 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 500g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
885693-20-9 / tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
Basic Information
CAS
885693-20-9
Multi CAS
Yes
Molecular Formula
BC16H28NO4
Molecular Weight
309.200000
Exact Mass
309.211139
InChI
InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17/h9H,8,10-11H2,1-7H3
InChIKey
KEEIJBAOTMNSEN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.81
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
86.59
TPSA
48
LogP / Solubility
WLOGP
3.19
MLOGP
2.82
XLogP3
3.19
Consensus LogP
3.06
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
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
-
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline
- CAS RN: 685103-98-4
- Product Code: SSC-178243
-
4-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene
- CAS RN: 635305-48-5
- Product Code: SSC-173236
-
-
4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- CAS RN: 1171891-31-8
- Product Code: SSC-017029
-
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
- CAS RN: 380151-85-9
- Product Code: SSC-145451
-
4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
- CAS RN: 568577-88-8
- Product Code: SSC-164889
![CAS 568577-88-8 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3705-jpgcontextbwfzdgvyfhjvb3r8mzezntf8aw1hz2uvanblz3xozwuvadlllzg5mzi3mja1nzq0otqvvdm3mduuanbnfdm5mjhkzgyzowm1zwzlotm1zgyzndawmzi1ody4yjcwywvhmjkxyjmwmgm2yzk5njm3otjjytq5y2vkytflzty.jpeg)