CAS RN: 957120-95-5
4-(N-Naphthalen-1-ylsulfamoyl)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.20251207 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS957120-95-5
- Purity/Analytical Methods: >99.0%
957120-95-5 / [4-(naphthalen-1-ylsulfamoyl)phenyl]boronic acid
Basic Information
CAS
957120-95-5
Multi CAS
No
Molecular Formula
BC16H14NO4S
Molecular Weight
327.200000
Exact Mass
327.073659
InChI
InChI=1S/C16H14BNO4S/c19-17(20)13-8-10-14(11-9-13)23(21,22)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,18-20H
InChIKey
UOKSWRGMRNZXCO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
91.02
TPSA
86.63
LogP / Solubility
WLOGP
1.32
MLOGP
1.18
XLogP3
1.32
Consensus LogP
1.27
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.78
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
2.5
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![CAS 957122-11-1 (R)-tert-butyl 8-(3,5-difluorophenyl)-9-(2-ethoxy-2-oxoethyl)-10-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/957122-11-1.gif)
