CAS RN: 906352-77-0
2-Morpholin-4-yl-5-(trifluoromethyl)benzeneboronic acid, pinacol ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250328 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS906352-77-0
- Purity/Analytical Methods: >99.0%
906352-77-0 / 4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)phenyl]morpholine
Basic Information
CAS
906352-77-0
Multi CAS
Yes
Molecular Formula
BC17F3H23NO3
Molecular Weight
357.200000
Exact Mass
357.172308
InChI
InChI=1S/C17H23BF3NO3/c1-15(2)16(3,4)25-18(24-15)13-11-12(17(19,20)21)5-6-14(13)22-7-9-23-10-8-22/h5-6,11H,7-10H2,1-4H3
InChIKey
FGPWVOFEKZVCDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
90.19
TPSA
30.93
LogP / Solubility
WLOGP
2.84
MLOGP
2.52
XLogP3
2.84
Consensus LogP
2.73
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.88
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
2.5
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