CAS RN: 874290-97-8
4-(MORPHOLINYLCARBONYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER
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.20250211 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS874290-97-8
- Purity/Analytical Methods: >99.0%
874290-97-8 / N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide
Basic Information
CAS
874290-97-8
Multi CAS
Yes
Molecular Formula
BC17H25N2O4
Molecular Weight
332.200000
Exact Mass
332.190737
InChI
InChI=1S/C17H25BN2O4/c1-16(2)17(3,4)24-18(23-16)13-5-7-14(8-6-13)19-15(21)20-9-11-22-12-10-20/h5-8H,9-12H2,1-4H3,(H,19,21)
InChIKey
NPVFWSDIINWNDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
93.57
TPSA
60.03
LogP / Solubility
WLOGP
1.85
MLOGP
1.64
XLogP3
1.85
Consensus LogP
1.78
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-3.43
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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