![CAS 1883760-17-5 4-[3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1883760-17-5.gif)
CAS RN: 1883760-17-5
4-[3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250811 | 25mg / 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1883760-17-5
- Purity/Analytical Methods: >99.0%
1883760-17-5 / 4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
Basic Information
CAS
1883760-17-5
Multi CAS
No
Molecular Formula
C16H23BFNO3
Molecular Weight
307.200000
Exact Mass
307.175502
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)N3CCOCC3)F
InChI
InChI=1S/C16H23BFNO3/c1-15(2)16(3,4)22-17(21-15)13-6-5-12(11-14(13)18)19-7-9-20-10-8-19/h5-6,11H,7-10H2,1-4H3
InChIKey
XDGIPDCLTWHMAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
85.15
TPSA
30.93
LogP / Solubility
WLOGP
1.96
MLOGP
1.74
XLogP3
1.96
Consensus LogP
1.89
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-3.2
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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