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CAS 170230-27-0 4-(pyridin-2-yl)phenylboronic acid molecular structure lightbox
CAS RN: 170230-27-0

4-(pyridin-2-yl)phenylboronic acid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260115 100mg In stock Inquiry
Batchno.20251028 1g In stock Inquiry
Batchno.20260630 250mg In stock Inquiry
Batchno.20251227 5g In stock Inquiry
  • Product code: SSC-074829
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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 170230-27-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

170230-27-0 / (4-pyridin-2-ylphenyl)boronic acid

Standard CAS: 170230-27-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
170230-27-0
Multi CAS
No
Molecular Formula
C11H10BNO2
Molecular Weight
199.020000
Exact Mass
199.080459
SMILES
B(C1=CC=C(C=C1)C2=CC=CC=N2)(O)O
InChI
InChI=1S/C11H10BNO2/c14-12(15)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8,14-15H
InChIKey
BANFGGCAQWUIAJ-UHFFFAOYSA-N

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

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