CAS RN: 613660-87-0
4-(Aminosulfonyl)phenylboronic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250404 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: starshine_CAS613660-87-0
- Purity/Analytical Methods: >99.0%
613660-87-0 / (4-sulfamoylphenyl)boronic acid
Basic Information
CAS
613660-87-0
Multi CAS
No
Molecular Formula
BC6H8NO4S
Molecular Weight
201.010000
Exact Mass
201.026709
InChI
InChI=1S/C6H8BNO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4,9-10H,(H2,8,11,12)
InChIKey
AKSXQPCIAOIJGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
47.64
TPSA
100.62
LogP / Solubility
WLOGP
-1.99
MLOGP
-1.75
XLogP3
-1.99
Consensus LogP
-1.91
Log S (ESOL)
-0.04
Class (ESOL)
Very soluble
Log S (Ali)
0.23
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.44
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)
-5.36
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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