CAS RN: 1310384-85-0
6-(4-METHYL-1H-PYRAZOL-1-YL)PYRIDINE-2-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.20250801 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1310384-85-0
- Purity/Analytical Methods: >99.0%
1310384-85-0 / [6-(4-methylpyrazol-1-yl)-2-pyridinyl]boronic acid
Basic Information
CAS
1310384-85-0
Multi CAS
No
Molecular Formula
C9H10BN3O2
Molecular Weight
203.010000
Exact Mass
203.086607
SMILES
B(C1=NC(=CC=C1)N2C=C(C=N2)C)(O)O
InChI
InChI=1S/C9H10BN3O2/c1-7-5-11-13(6-7)9-4-2-3-8(12-9)10(14)15/h2-6,14-15H,1H3
InChIKey
SOLIPWNQQFQWSI-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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