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CAS 1264148-03-9 6-(3-METHYL-1H-PYRAZOL-1-YL)PYRIDINE-2-BORONIC ACID molecular structure lightbox
CAS RN: 1264148-03-9

6-(3-METHYL-1H-PYRAZOL-1-YL)PYRIDINE-2-BORONIC ACID

  • Product code: SSC-033529
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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 1264148-03-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1264148-03-9 / [6-(3-methylpyrazol-1-yl)-2-pyridinyl]boronic acid

Standard CAS: 1264148-03-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1264148-03-9
Multi CAS
No
Molecular Formula
C9H10BN3O2
Molecular Weight
203.010000
Exact Mass
203.086607
SMILES
B(C1=NC(=CC=C1)N2C=CC(=N2)C)(O)O
InChI
InChI=1S/C9H10BN3O2/c1-7-5-6-13(12-7)9-4-2-3-8(11-9)10(14)15/h2-6,14-15H,1H3
InChIKey
KBLSUERMTWWNCZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
55.92
TPSA
71.17

LogP / Solubility

WLOGP
-0.74
MLOGP
-0.65
XLogP3
-0.74
Consensus LogP
-0.71
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
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)
-4.49

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

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