CAS RN: 1644061-13-1
2-(1H-Pyrazol-1-yl)pyrimidine-5-boronic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260102 | 5mg / 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1644061-13-1
- Purity/Analytical Methods: >99.0%
1644061-13-1 / (2-pyrazol-1-ylpyrimidin-5-yl)boronic acid
Basic Information
CAS
1644061-13-1
Multi CAS
No
Molecular Formula
C7H7BN4O2
Molecular Weight
189.970000
Exact Mass
190.066206
SMILES
B(C1=CN=C(N=C1)N2C=CC=N2)(O)O
InChI
InChI=1S/C7H7BN4O2/c13-8(14)6-4-9-7(10-5-6)12-3-1-2-11-12/h1-5,13-14H
InChIKey
CUJAGUQCHFZMRL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
48.98
TPSA
84.06
LogP / Solubility
WLOGP
-1.66
MLOGP
-1.46
XLogP3
-1.66
Consensus LogP
-1.59
Log S (ESOL)
-0.42
Class (ESOL)
Very soluble
Log S (Ali)
0.08
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.24
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)
-5.06
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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