CAS RN: 1704080-43-2
(4-fluoro-3-(4-hydroxypiperidine-1-carbonyl)phenyl)boronic acid
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.20250202 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1704080-43-2
- Purity/Analytical Methods: >99.0%
1704080-43-2 / [4-fluoro-3-(4-hydroxypiperidine-1-carbonyl)phenyl]boronic acid
Basic Information
CAS
1704080-43-2
Multi CAS
No
Molecular Formula
C12H15BFNO4
Molecular Weight
267.060000
Exact Mass
267.107816
SMILES
B(C1=CC(=C(C=C1)F)C(=O)N2CCC(CC2)O)(O)O
InChI
InChI=1S/C12H15BFNO4/c14-11-2-1-8(13(18)19)7-10(11)12(17)15-5-3-9(16)4-6-15/h1-2,7,9,16,18-19H,3-6H2
InChIKey
JWNZPTXJEUFQFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
67.37
TPSA
81
LogP / Solubility
WLOGP
-0.9
MLOGP
-0.78
XLogP3
-0.9
Consensus LogP
-0.86
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.89
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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