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CAS 1073354-99-0 5-AMINOPYRIDINE-3-BORONIC ACID, PINACOL ESTER molecular structure lightbox
CAS RN: 1073354-99-0

5-AMINOPYRIDINE-3-BORONIC ACID, PINACOL ESTER

Product Availability

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8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250404 10g In stock Inquiry
Batchno.20250214 1g In stock Inquiry
Batchno.20250205 250mg In stock Inquiry
Batchno.20251229 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250426 1g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250722 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250718 25g In stock Shanghai, Chengdu Inquiry
Batchno.20250727 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-008925
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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: 1g, 5g, 10g, 0.25g, 25g
  • Available purity: ≥97%
  • 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 1073354-99-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Beijing Inquiry
5g ≥97% 5 In Stock Shanghai Inquiry
10g ≥97% 4 In Stock Hong Kong Inquiry
0.25g ≥97% 2 In Stock Hong Kong Inquiry
25g ≥97% 1 In Stock Hong Kong Inquiry

1073354-99-0 / 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine

3-AMINOPYRIDINE-5-BORONIC ACID, PINACOL ESTER | 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3-PYRIDINAMINE | DTXSID201178391

Standard CAS: 1073354-99-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1073354-99-0
Multi CAS
Yes
Molecular Formula
C11H17BN2O2
Molecular Weight
220.080000
Exact Mass
220.138308
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)N
InChI
InChI=1S/C11H17BN2O2/c1-10(2)11(3,4)16-12(15-10)8-5-9(13)7-14-6-8/h5-7H,13H2,1-4H3
InChIKey
DAISWHFZWZZBBD-UHFFFAOYSA-N
Synonyms
3-AMINOPYRIDINE-5-BORONIC ACID, PINACOL ESTER 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3-PYRIDINAMINE DTXSID201178391 RefChem:530052 DTXCID601609744

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.37
TPSA
57.37

LogP / Solubility

WLOGP
0.96
MLOGP
0.85
XLogP3
0.96
Consensus LogP
0.92
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.01
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)
-3.38

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)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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