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CAS 1150561-58-2 5-(Ethoxycarbonyl)-6-methylpyridine-3-boronic acid,pinacol ester molecular structure lightbox
CAS RN: 1150561-58-2

5-(Ethoxycarbonyl)-6-methylpyridine-3-boronic acid,pinacol ester

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250831 100mg In stock Shenzhen, Tianjin Inquiry
Batchno.20260113 1g In stock Shenzhen, Tianjin Inquiry
Batchno.20250104 250mg In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-014756
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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: ≥95%
  • 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 1150561-58-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1150561-58-2 / ethyl 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate

5-(Ethoxycarbonyl)-6-methylpyridine-3-boronic acid, pinacol ester | RefChem:531232 | 802-085-7

Standard CAS: 1150561-58-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1150561-58-2
Multi CAS
Yes
Molecular Formula
C15H22BNO4
Molecular Weight
291.150000
Exact Mass
291.164188
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)C)C(=O)OCC
InChI
InChI=1S/C15H22BNO4/c1-7-19-13(18)12-8-11(9-17-10(12)2)16-20-14(3,4)15(5,6)21-16/h8-9H,7H2,1-6H3
InChIKey
JKRVLCLHODKBDC-UHFFFAOYSA-N
Synonyms
5-(Ethoxycarbonyl)-6-methylpyridine-3-boronic acid, pinacol ester RefChem:531232 802-085-7 Ethyl 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate ethyl 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
80.65
TPSA
57.65

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
1.87
Consensus LogP
1.8
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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)
-3.17

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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