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CAS 1093878-52-4 2-[1-[[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]OXY]-1-METHYLETHYL]-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAPYRIDINE molecular structure lightbox
CAS RN: 1093878-52-4

2-[1-[[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]OXY]-1-METHYLETHYL]-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAPYRIDINE

  • Product code: SSC-010669
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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, 5g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • 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 1093878-52-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Shanghai Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
0.25g -- 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
5g -- 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Beijing Inquiry
1g -- 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Hong Kong Inquiry

1093878-52-4 / tert-butyl-dimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane

6-(2-((tert-Butyldimethylsilyl)oxy)propan-2-yl)pyridine-3-boronic acid pinacol ester | MFCD13195024 | tert-butyl-dimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propan-2-yloxy]silane

Standard CAS: 1093878-52-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1093878-52-4
Multi CAS
No
Molecular Formula
C20H36BNO3Si
Molecular Weight
377.400000
Exact Mass
377.255751
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C(C)(C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C20H36BNO3Si/c1-17(2,3)26(10,11)25-18(4,5)16-13-12-15(14-22-16)21-23-19(6,7)20(8,9)24-21/h12-14H,1-11H3
InChIKey
FTRDTYSVLDPJLZ-UHFFFAOYSA-N
Synonyms
6-(2-((tert-Butyldimethylsilyl)oxy)propan-2-yl)pyridine-3-boronic acid pinacol ester MFCD13195024 tert-butyl-dimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propan-2-yloxy]silane 2-(2-((tert-butyldimethylsilyl)oxy)propan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine 2-[1-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-1-methylethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolapyridine

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
111.26
TPSA
40.58

LogP / Solubility

WLOGP
4.64
MLOGP
4.1
XLogP3
4.64
Consensus LogP
4.46
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.44
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.73

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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