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CAS 889865-34-3 tert-butyl 4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate molecular structure lightbox
CAS RN: 889865-34-3

tert-butyl 4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate

  • Product code: SSC-200705
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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, 10g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • 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 889865-34-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 2 In Stock Shanghai Inquiry
0.25g >98% 2 In Stock Shenzhen Inquiry
1g >98% 2 In Stock Shanghai Inquiry
5g >98% 2 In Stock Shenzhen Inquiry
10g >98% 2 In Stock Shanghai Inquiry

889865-34-3 / tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate

Standard CAS: 889865-34-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
889865-34-3
Multi CAS
Yes
Molecular Formula
BC22H34NO5
Molecular Weight
403.300000
Exact Mass
403.253003
InChI
InChI=1S/C22H34BNO5/c1-20(2,3)27-19(25)24-14-12-18(13-15-24)26-17-10-8-16(9-11-17)23-28-21(4,5)22(6,7)29-23/h8-11,18H,12-15H2,1-7H3
InChIKey
XPNSYBYHVPMAET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
113.62
TPSA
57.23

LogP / Solubility

WLOGP
3.76
MLOGP
3.34
XLogP3
3.76
Consensus LogP
3.62
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
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
Yes
Log Kp (skin permeation)
-2.51

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

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