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CAS 1189546-00-6 (2-cyclopropylpyridin-3-yl)boronic acid molecular structure lightbox
CAS RN: 1189546-00-6

(2-cyclopropylpyridin-3-yl)boronic acid

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250303 5mg / 25mg / 100mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250623 100mg In stock Shanghai Inquiry
Batchno.20250804 1g In stock Shanghai Inquiry
Batchno.20260526 250mg In stock Shanghai Inquiry
  • Product code: SSC-019174
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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 1189546-00-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1189546-00-6 / (2-cyclopropyl-4-pyridinyl)boronic acid

(2-cyclopropylpyridin-4-yl)boronic acid | 2-Cyclopropylpyridine-4-boronic acid | 2-cyclopropylpyridin-4-ylboronic acid

Standard CAS: 1189546-00-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1189546-00-6
Multi CAS
Yes
Molecular Formula
C8H10BNO2
Molecular Weight
162.980000
Exact Mass
163.080459
SMILES
B(C1=CC(=NC=C1)C2CC2)(O)O
InChI
InChI=1S/C8H10BNO2/c11-9(12)7-3-4-10-8(5-7)6-1-2-6/h3-6,11-12H,1-2H2
InChIKey
WQQUGBNQCWPZKN-UHFFFAOYSA-N
Synonyms
(2-cyclopropylpyridin-4-yl)boronic acid 2-Cyclopropylpyridine-4-boronic acid 2-cyclopropylpyridin-4-ylboronic acid MFCD11223181 B-(2-cyclopropyl-4-pyridinyl)-Boronic acid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.04
TPSA
53.35

LogP / Solubility

WLOGP
-0.36
MLOGP
-0.32
XLogP3
-0.36
Consensus LogP
-0.35
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.66
Class (SILICOS-IT)
Very 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)
-3.97

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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