![CAS 330793-73-2 N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo[d]oxazol-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/330793-73-2.gif)
CAS RN: 330793-73-2
N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo[d]oxazol-2-amine
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.20250717 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS330793-73-2
- Purity/Analytical Methods: >99.0%
330793-73-2 / N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-benzoxazol-2-amine
Basic Information
CAS
330793-73-2
Multi CAS
No
Molecular Formula
BC19H21N2O3
Molecular Weight
336.200000
Exact Mass
336.164523
InChI
InChI=1S/C19H21BN2O3/c1-18(2)19(3,4)25-20(24-18)13-9-11-14(12-10-13)21-17-22-15-7-5-6-8-16(15)23-17/h5-12H,1-4H3,(H,21,22)
InChIKey
GUNKGHIRBGTYJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
99.45
TPSA
56.52
LogP / Solubility
WLOGP
3.87
MLOGP
3.42
XLogP3
3.87
Consensus LogP
3.72
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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