CAS RN: 850589-31-0
4-(N-ISOPROPYLSULFAMOYL)PHENYLBORONIC 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.20250102 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS850589-31-0
- Purity/Analytical Methods: >99.0%
850589-31-0 / [4-(propan-2-ylsulfamoyl)phenyl]boronic acid
Basic Information
CAS
850589-31-0
Multi CAS
Yes
Molecular Formula
BC9H14NO4S
Molecular Weight
243.090000
Exact Mass
243.073659
InChI
InChI=1S/C9H14BNO4S/c1-7(2)11-16(14,15)9-5-3-8(4-6-9)10(12)13/h3-7,11-13H,1-2H3
InChIKey
PMNOLRUYDNBEFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
61.73
TPSA
86.63
LogP / Solubility
WLOGP
-0.95
MLOGP
-0.83
XLogP3
-0.95
Consensus LogP
-0.91
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very 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)
-4.88
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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