CAS RN: 1449144-86-8
(3-FLUORO-4-(4-OXOPIPERIDIN-1-YL)PHENYL)BORONIC ACID PINACOL ESTER
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.20251111 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1449144-86-8
- Purity/Analytical Methods: >99.0%
1449144-86-8 / 1-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-one
Basic Information
CAS
1449144-86-8
Multi CAS
No
Molecular Formula
C17H23BFNO3
Molecular Weight
319.200000
Exact Mass
319.175502
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N3CCC(=O)CC3)F
InChI
InChI=1S/C17H23BFNO3/c1-16(2)17(3,4)23-18(22-16)12-5-6-15(14(19)11-12)20-9-7-13(21)8-10-20/h5-6,11H,7-10H2,1-4H3
InChIKey
FHDDBZKNBFPROU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
88.57
TPSA
38.77
LogP / Solubility
WLOGP
2.29
MLOGP
2.03
XLogP3
2.29
Consensus LogP
2.2
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly 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
No
Log Kp (skin permeation)
-3.04
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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