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CAS 1045332-30-6 4-(pyridin-4-yl)phenylboronic acid molecular structure lightbox
CAS RN: 1045332-30-6

4-(pyridin-4-yl)phenylboronic acid

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250518 10g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20251020 1g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260630 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250815 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20250514 25g In stock Shanghai Inquiry
Batchno.20260701 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-006325
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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: 5g
  • 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 1045332-30-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1045332-30-6 / (4-pyridin-4-ylphenyl)boronic acid

(5-Phenylpyridin-3-yl)boronic acid | 5-Phenyl-3-pyridinylboronic acid | 5-PHENYL-3-PYRIDINYL BORONIC ACID

Standard CAS: 1045332-30-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1045332-30-6
Multi CAS
Yes
Molecular Formula
C11H10BNO2
Molecular Weight
199.020000
Exact Mass
199.080459
SMILES
B(C1=CC=C(C=C1)C2=CC=NC=C2)(O)O
InChI
InChI=1S/C11H10BNO2/c14-12(15)11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8,14-15H
InChIKey
QLVTYWFPUODTBB-UHFFFAOYSA-N
Synonyms
(5-Phenylpyridin-3-yl)boronic acid 5-Phenyl-3-pyridinylboronic acid 5-PHENYL-3-PYRIDINYL BORONIC ACID 5-Phenylpyridine-3-boronic acid 5-phenylpyridin-3-ylboronic acid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.5
TPSA
53.35

LogP / Solubility

WLOGP
0.43
MLOGP
0.38
XLogP3
0.43
Consensus LogP
0.41
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
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)
-3.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
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] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, 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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