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CAS 847818-55-7 1-Methyl-1H-pyrazole-4-boronic acid molecular structure lightbox
CAS RN: 847818-55-7

1-Methyl-1H-pyrazole-4-boronic acid

  • Product code: SSC-192384
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 25g, 10g, 5g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 847818-55-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
25g >95% 5 In Stock Shenzhen Inquiry
10g >95% 2 In Stock Beijing Inquiry
5g >95% 1 In Stock Shenzhen Inquiry
100g >95% 1 In Stock Shanghai Inquiry

847818-55-7 / (1-methylpyrazol-4-yl)boronic acid

Standard CAS: 847818-55-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
847818-55-7
Multi CAS
Yes
Molecular Formula
BC4H7N2O2
Molecular Weight
125.920000
Exact Mass
126.060058
InChI
InChI=1S/C4H7BN2O2/c1-7-3-4(2-6-7)5(8)9/h2-3,8-9H,1H3
InChIKey
RYGOBSYXIIUFOR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
33.03
TPSA
58.28

LogP / Solubility

WLOGP
-1.9
MLOGP
-1.68
XLogP3
-1.9
Consensus LogP
-1.83
Log S (ESOL)
0.23
Class (ESOL)
Highly soluble
Log S (Ali)
0.78
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.98
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.84

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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