CAS RN: 724710-02-5

1H-PYRAZOLE-5-BORONIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250731 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS724710-02-5
  • Purity/Analytical Methods: >99.0%
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724710-02-5 / 1H-pyrazol-5-ylboronic acid

Standard CAS: 724710-02-5 Multi CAS: No

Basic Information

CAS
724710-02-5
Multi CAS
No
Molecular Formula
BC3H5N2O2
Molecular Weight
111.900000
Exact Mass
112.044408
InChI
InChI=1S/C3H5BN2O2/c7-4(8)3-1-2-5-6-3/h1-2,7-8H,(H,5,6)
InChIKey
NEUWPDLMDVINSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
28.41
TPSA
69.14

LogP / Solubility

WLOGP
-1.91
MLOGP
-1.69
XLogP3
-1.91
Consensus LogP
-1.84
Log S (ESOL)
0.27
Class (ESOL)
Highly soluble
Log S (Ali)
0.9
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.08
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)
-4.76

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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