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CAS 1131912-76-9 Tetrahydropyran-4-boronic acid pinacol ester molecular structure lightbox
CAS RN: 1131912-76-9

Tetrahydropyran-4-boronic acid pinacol ester

  • Product code: SSC-013365
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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, 5g, 0.25g, 1g, 10g, 25g
  • Available purity: >95%
  • 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 1131912-76-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 4 In Stock Beijing Inquiry
1g >95% 2 In Stock Shenzhen Inquiry
10g >95% 1 In Stock Shanghai Inquiry
25g >95% 0 Out of Stock Hong Kong Inquiry

1131912-76-9 / 4,4,5,5-tetramethyl-2-(oxan-4-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(oxan-4-yl)-1,3,2-dioxaborolane | RefChem:507161 | 694-772-1

Standard CAS: 1131912-76-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1131912-76-9
Multi CAS
Yes
Molecular Formula
C11H21BO3
Molecular Weight
212.100000
Exact Mass
212.158375
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CCOCC2
InChI
InChI=1S/C11H21BO3/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h9H,5-8H2,1-4H3
InChIKey
NLSMOSUUBUCSPL-UHFFFAOYSA-N
Synonyms
4,4,5,5-tetramethyl-2-(oxan-4-yl)-1,3,2-dioxaborolane RefChem:507161 694-772-1 4,4,5,5-Tetramethyl-2-(tetrahydro-2H-pyran-4-yl)-1,3,2-dioxaborolane Tetrahydropyran-4-boronic acid pinacol ester

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
59.89
TPSA
27.69

LogP / Solubility

WLOGP
2.26
MLOGP
1.99
XLogP3
2.26
Consensus LogP
2.17
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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