CAS RN: 1048970-17-7
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate
- Product code: SSC-006633
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: 1g, 5g, 10g, 25g, 100g, 0.25g, 500g
- Available purity: >98%
- 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 |
|---|---|---|---|---|
| 1g | >98% | 5 In Stock | Shanghai | Inquiry |
| 5g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >98% | 5 In Stock | Shanghai | Inquiry |
| 100g | >98% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >98% | 3 In Stock | Shanghai | Inquiry |
| 500g | >98% | 0 Out of Stock | Beijing | Inquiry |
1048970-17-7 / tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate | DTXSID50656455 | RefChem:893703
Basic Information
CAS
1048970-17-7
Multi CAS
Yes
Molecular Formula
C16H30BNO4
Molecular Weight
311.200000
Exact Mass
311.226789
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H30BNO4/c1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h12H,8-11H2,1-7H3
InChIKey
IBLQMWKHENBVJE-UHFFFAOYSA-N
Synonyms
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate
DTXSID50656455
RefChem:893703
DTXCID50607205
686-917-2
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.94
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
86.87
TPSA
48
LogP / Solubility
WLOGP
3.48
MLOGP
3.08
XLogP3
3.48
Consensus LogP
3.35
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
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)
-2.15
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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