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CAS 1083168-92-6 2,3-Dimethoxypyridine-5-boronic acid,pinacol ester molecular structure lightbox
CAS RN: 1083168-92-6

2,3-Dimethoxypyridine-5-boronic acid,pinacol ester

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251230 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250913 1g In stock Tianjin Inquiry
Batchno.20251016 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250425 5g In stock Shenzhen Inquiry
  • Product code: SSC-009662
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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 1083168-92-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1083168-92-6 / 2,3-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2,3-Dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine | DTXSID50670151 | RefChem:81789

Standard CAS: 1083168-92-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1083168-92-6
Multi CAS
Yes
Molecular Formula
C13H20BNO4
Molecular Weight
265.120000
Exact Mass
265.148538
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)OC)OC
InChI
InChI=1S/C13H20BNO4/c1-12(2)13(3,4)19-14(18-12)9-7-10(16-5)11(17-6)15-8-9/h7-8H,1-6H3
InChIKey
CJHRJDZURRUHSH-UHFFFAOYSA-N
Synonyms
2,3-Dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine DTXSID50670151 RefChem:81789 DTXCID60620900 800-798-8

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
73.06
TPSA
49.81

LogP / Solubility

WLOGP
1.4
MLOGP
1.24
XLogP3
1.4
Consensus LogP
1.35
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-3.34

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): 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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