![CAS 787591-39-3 4-(2-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENOXY]-ETHYL)-MORPHOLINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/787591-39-3.gif)
CAS RN: 787591-39-3
4-(2-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENOXY]-ETHYL)-MORPHOLINE
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.20250620 | 250mg / 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS787591-39-3
- Purity/Analytical Methods: >99.0%
787591-39-3 / N-(2-morpholin-4-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Basic Information
CAS
787591-39-3
Multi CAS
Yes
Molecular Formula
BC19H29N2O4
Molecular Weight
360.300000
Exact Mass
360.222038
InChI
InChI=1S/C19H29BN2O4/c1-18(2)19(3,4)26-20(25-18)16-7-5-15(6-8-16)17(23)21-9-10-22-11-13-24-14-12-22/h5-8H,9-14H2,1-4H3,(H,21,23)
InChIKey
VPNFEKQPSDUJOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
101.75
TPSA
60.03
LogP / Solubility
WLOGP
1.05
MLOGP
0.94
XLogP3
1.05
Consensus LogP
1.01
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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)
-4.17
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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