CAS RN: 1175560-30-1
pyridazin-3-yl-3-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.20250924 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1175560-30-1
- Purity/Analytical Methods: >99.0%
1175560-30-1 / pyridazin-3-ylboronic acid
B-3-pyridazinylBoronic acid | RefChem:320583 | Pyridazin-3-ylboronic acid
Basic Information
CAS
1175560-30-1
Multi CAS
No
Molecular Formula
C4H5BN2O2
Molecular Weight
123.910000
Exact Mass
124.044408
SMILES
B(C1=NN=CC=C1)(O)O
InChI
InChI=1S/C4H5BN2O2/c8-5(9)4-2-1-3-6-7-4/h1-3,8-9H
InChIKey
LRHOJUFCNKAYLN-UHFFFAOYSA-N
Synonyms
B-3-pyridazinylBoronic acid
RefChem:320583
Pyridazin-3-ylboronic acid
3-Pyridazinylboronic acid
MFCD10688641
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
31.86
TPSA
66.24
LogP / Solubility
WLOGP
-1.84
MLOGP
-1.63
XLogP3
-1.84
Consensus LogP
-1.77
Log S (ESOL)
0.13
Class (ESOL)
Highly soluble
Log S (Ali)
0.76
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.94
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)
-4.78
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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