CAS RN: 951233-61-7
5-sulfamoylpyridin-3-ylboronic 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.20260113 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS951233-61-7
- Purity/Analytical Methods: >99.0%
951233-61-7 / (5-sulfamoyl-3-pyridinyl)boronic acid
Basic Information
CAS
951233-61-7
Multi CAS
No
Molecular Formula
BC5H7N2O4S
Molecular Weight
202.000000
Exact Mass
202.021958
InChI
InChI=1S/C5H7BN2O4S/c7-13(11,12)5-1-4(6(9)10)2-8-3-5/h1-3,9-10H,(H2,7,11,12)
InChIKey
PEQGNKIHPKDYFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
45.44
TPSA
113.51
LogP / Solubility
WLOGP
-2.59
MLOGP
-2.28
XLogP3
-2.59
Consensus LogP
-2.49
Log S (ESOL)
0.33
Class (ESOL)
Highly soluble
Log S (Ali)
0.65
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)
-5.79
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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![CAS 951322-68-2 “5-[1-[[(1R,2R)-2-aMino-1,2-diphenylethyl]aMino]ethylidene]-1,3-diMethyl- 2,4,6(1H,3H,5H)-PyriMidinetrione” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/951322-68-2.gif)