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CAS 2027496-50-8 Methyl {[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy}acetate molecular structure lightbox
CAS RN: 2027496-50-8

Methyl {[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy}acetate

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251016 100mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260624 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250413 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250904 25g Out of stock Inquiry
Batchno.20260214 5g In stock Shenzhen, Chengdu Inquiry
  • Product code: SSC-095452
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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, 1g, 0.25g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 2027496-50-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
1g >95% 4 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Shenzhen Inquiry

2027496-50-8 / methyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate

Standard CAS: 2027496-50-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
2027496-50-8
Multi CAS
No
Molecular Formula
C14H20BNO5
Molecular Weight
293.130000
Exact Mass
293.143453
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OCC(=O)OC
InChI
InChI=1S/C14H20BNO5/c1-13(2)14(3,4)21-15(20-13)10-6-7-11(16-8-10)19-9-12(17)18-5/h6-8H,9H2,1-5H3
InChIKey
QMSMRWQJDYUHEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
77.46
TPSA
66.88

LogP / Solubility

WLOGP
0.93
MLOGP
0.83
XLogP3
0.93
Consensus LogP
0.9
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately 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)
-3.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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