![CAS 690662-88-5 4-[[(2-phenylethyl)amino]sulfonyl]phenyl]Boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/690662-88-5.png)
CAS RN: 690662-88-5
4-[[(2-phenylethyl)amino]sulfonyl]phenyl]Boronic 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 | Inquiry |
|---|---|---|---|---|
| Batchno.20250917 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINB907351
690662-88-5 / [4-(2-phenylethylsulfamoyl)phenyl]boronic acid
Basic Information
CAS
690662-88-5
Multi CAS
No
Molecular Formula
BC14H16NO4S
Molecular Weight
305.200000
Exact Mass
305.089309
InChI
InChI=1S/C14H16BNO4S/c17-15(18)13-6-8-14(9-7-13)21(19,20)16-11-10-12-4-2-1-3-5-12/h1-9,16-18H,10-11H2
InChIKey
JKFNGKMSRZZEGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
81.6
TPSA
86.63
LogP / Solubility
WLOGP
-0.11
MLOGP
-0.09
XLogP3
-0.11
Consensus LogP
-0.1
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.27
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)
-4.66
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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