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CAS 1160924-51-5 (E)-Tert-Butyl 4-(2-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Vinyl)Piperidine-1-Carboxylate molecular structure lightbox
CAS RN: 1160924-51-5

(E)-Tert-Butyl 4-(2-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Vinyl)Piperidine-1-Carboxylate

  • Product code: SSC-016224
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1160924-51-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

1160924-51-5 / tert-butyl 4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]piperidine-1-carboxylate

(e)-tert-butyl 4-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)vinyl)piperidine-1-carboxylate | tert-butyl 4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]piperidine-1-carboxylate | MFCD28388343

Standard CAS: 1160924-51-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1160924-51-5
Multi CAS
Yes
Molecular Formula
C18H32BNO4
Molecular Weight
337.300000
Exact Mass
337.242439
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H32BNO4/c1-16(2,3)22-15(21)20-12-9-14(10-13-20)8-11-19-23-17(4,5)18(6,7)24-19/h8,11,14H,9-10,12-13H2,1-7H3/b11-8+
InChIKey
IUIVSFUZFWYZHL-DHZHZOJOSA-N
Synonyms
(e)-tert-butyl 4-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)vinyl)piperidine-1-carboxylate tert-butyl 4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]piperidine-1-carboxylate MFCD28388343 (E)-(2-(1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL)VINYL)BORONIC ACID PINACOL ESTER tert-Butyl (E)-4-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)vinyl)piperidine-1-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
95.75
TPSA
48

LogP / Solubility

WLOGP
3.82
MLOGP
3.38
XLogP3
3.82
Consensus LogP
3.67
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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