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CAS 874959-97-4 4-Methoxypyridine-3-boronic acid, HCl molecular structure lightbox
CAS RN: 874959-97-4

4-Methoxypyridine-3-boronic acid, HCl

  • Product code: SSC-197552
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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: ≥95%
  • 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 874959-97-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

874959-97-4 / (4-methoxy-3-pyridinyl)boronic acid;hydrochloride

Standard CAS: 874959-97-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
874959-97-4
Multi CAS
Yes
Molecular Formula
C6H9BCLNO3
Molecular Weight
189.410000
Exact Mass
189.036401
InChI
InChI=1S/C6H8BNO3.ClH/c1-11-6-2-3-8-4-5(6)7(9)10;/h2-4,9-10H,1H3;1H
InChIKey
JLONCHBPEIKTEA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.86
TPSA
62.58

LogP / Solubility

WLOGP
-0.81
MLOGP
-0.71
XLogP3
-0.81
Consensus LogP
-0.78
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.45

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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