CAS RN: 1310383-41-5
3-Methyl-1H-indazole-4-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.20250928 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1310383-41-5
- Purity/Analytical Methods: >99.0%
1310383-41-5 / (3-methyl-2H-indazol-4-yl)boronic acid
Basic Information
CAS
1310383-41-5
Multi CAS
No
Molecular Formula
C8H9BN2O2
Molecular Weight
175.980000
Exact Mass
176.075708
SMILES
B(C1=CC=CC2=NNC(=C12)C)(O)O
InChI
InChI=1S/C8H9BN2O2/c1-5-8-6(9(12)13)3-2-4-7(8)11-10-5/h2-4,12-13H,1H3,(H,10,11)
InChIKey
SRVMIYRNCHTCIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
50.66
TPSA
69.14
LogP / Solubility
WLOGP
-0.45
MLOGP
-0.4
XLogP3
-0.45
Consensus LogP
-0.43
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.55
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)
-4.11
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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