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CAS 1072945-01-7 6-ETHOXYPYRIDINE-3-BORONIC ACID, PINACOL ESTER molecular structure lightbox
CAS RN: 1072945-01-7

6-ETHOXYPYRIDINE-3-BORONIC ACID, PINACOL ESTER

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250903 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251107 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20251231 5g In stock Shanghai Inquiry
  • Product code: SSC-008773
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1072945-01-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1072945-01-7 / 2-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2-Ethoxy-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Pyridine | DTXSID30639887 | RefChem:260351

Standard CAS: 1072945-01-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1072945-01-7
Multi CAS
Yes
Molecular Formula
C13H20BNO3
Molecular Weight
249.120000
Exact Mass
249.153624
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OCC
InChI
InChI=1S/C13H20BNO3/c1-6-16-11-8-7-10(9-15-11)14-17-12(2,3)13(4,5)18-14/h7-9H,6H2,1-5H3
InChIKey
GXUHWEZZHFBDFA-UHFFFAOYSA-N
Synonyms
2-Ethoxy-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Pyridine DTXSID30639887 RefChem:260351 DTXCID00590638 681-270-2

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
71.12
TPSA
40.58

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
1.78
Consensus LogP
1.71
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
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)
-2.98

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
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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