![CAS 656257-49-7 1-(4-morpholinyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/656257-49-7.gif)
CAS RN: 656257-49-7
1-(4-morpholinyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethanone
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.20250706 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS656257-49-7
- Purity/Analytical Methods: >99.0%
656257-49-7 / 1-morpholin-4-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethanone
Basic Information
CAS
656257-49-7
Multi CAS
No
Molecular Formula
BC18H26NO5
Molecular Weight
347.200000
Exact Mass
347.190403
InChI
InChI=1S/C18H26BNO5/c1-17(2)18(3,4)25-19(24-17)14-5-7-15(8-6-14)23-13-16(21)20-9-11-22-12-10-20/h5-8H,9-13H2,1-4H3
InChIKey
BCOZHCQIQWULQO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
95.05
TPSA
57.23
LogP / Solubility
WLOGP
1.22
MLOGP
1.09
XLogP3
1.22
Consensus LogP
1.18
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.97
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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