CAS RN: 330793-46-9
4-(Phenethylcarbamoyl)phenylboronic acid
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251126 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20260519 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250730 | 25g | In stock | Shenzhen, Tianjin | Inquiry |
| Batchno.20250208 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS330793-46-9
- Purity/Analytical Methods: >99.0%
330793-46-9 / [4-(2-phenylethylcarbamoyl)phenyl]boronic acid
Basic Information
CAS
330793-46-9
Multi CAS
No
Molecular Formula
BC15H16NO3
Molecular Weight
269.110000
Exact Mass
269.122324
InChI
InChI=1S/C15H16BNO3/c18-15(13-6-8-14(9-7-13)16(19)20)17-11-10-12-4-2-1-3-5-12/h1-9,19-20H,10-11H2,(H,17,18)
InChIKey
VTXXKSNJPIRHMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
78.75
TPSA
69.56
LogP / Solubility
WLOGP
0.34
MLOGP
0.31
XLogP3
0.34
Consensus LogP
0.33
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.12
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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