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CAS RN: 364794-81-0
4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-phenethyl)morpholine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250615 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS364794-81-0
- Purity/Analytical Methods: >99.0%
364794-81-0 / 4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]morpholine
Basic Information
CAS
364794-81-0
Multi CAS
Yes
Molecular Formula
BC18H28NO3
Molecular Weight
317.200000
Exact Mass
317.216224
InChI
InChI=1S/C18H28BNO3/c1-17(2)18(3,4)23-19(22-17)16-7-5-15(6-8-16)9-10-20-11-13-21-14-12-20/h5-8H,9-14H2,1-4H3
InChIKey
OOGUDBLEQZQAGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
93.12
TPSA
30.93
LogP / Solubility
WLOGP
1.86
MLOGP
1.65
XLogP3
1.86
Consensus LogP
1.79
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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)
-3.33
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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