CAS RN: 957062-69-0
3-Chlorophenyl 4-boronobenzenesulfonamide
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.20250318 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS957062-69-0
- Purity/Analytical Methods: >99.0%
957062-69-0 / [4-[(3-chlorophenyl)sulfamoyl]phenyl]boronic acid
Basic Information
CAS
957062-69-0
Multi CAS
No
Molecular Formula
C12H11BCLNO4S
Molecular Weight
311.600000
Exact Mass
311.019037
InChI
InChI=1S/C12H11BClNO4S/c14-10-2-1-3-11(8-10)15-20(18,19)12-6-4-9(5-7-12)13(16)17/h1-8,15-17H
InChIKey
RFMJCHDJLPORGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
78.53
TPSA
86.63
LogP / Solubility
WLOGP
0.82
MLOGP
0.74
XLogP3
0.82
Consensus LogP
0.79
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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