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CAS 1186127-11-6 2-Triisopropylsilyl-oxazole-5-boronic acid, pinacol ester molecular structure lightbox
CAS RN: 1186127-11-6

2-Triisopropylsilyl-oxazole-5-boronic acid, pinacol ester

  • Product code: SSC-018466
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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, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • 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 1186127-11-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
10g ≥95% 5 In Stock Hong Kong Inquiry
25g ≥95% 5 In Stock Hong Kong Inquiry

1186127-11-6 / tri(propan-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazol-2-yl]silane

5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[tris(propan-2-yl)silyl]-1,3-oxazole | 5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(tris(propan-2-yl)silyl)-1,3-oxazole | RefChem:531677

Standard CAS: 1186127-11-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1186127-11-6
Multi CAS
Yes
Molecular Formula
C18H34BNO3Si
Molecular Weight
351.400000
Exact Mass
351.240101
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(O2)[Si](C(C)C)(C(C)C)C(C)C
InChI
InChI=1S/C18H34BNO3Si/c1-12(2)24(13(3)4,14(5)6)16-20-11-15(21-16)19-22-17(7,8)18(9,10)23-19/h11-14H,1-10H3
InChIKey
QHQHHUIEVWSWDJ-UHFFFAOYSA-N
Synonyms
5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[tris(propan-2-yl)silyl]-1,3-oxazole 5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(tris(propan-2-yl)silyl)-1,3-oxazole RefChem:531677 962-946-9 2-(Triisopropylsilyl)oxazole-5-boronic acid pinacol ester

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
5
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
102.9
TPSA
44.49

LogP / Solubility

WLOGP
3.86
MLOGP
3.41
XLogP3
3.86
Consensus LogP
3.71
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.75
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.12

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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