CAS RN: 915402-01-6
3-(3-Fluoropropyloxy)-benzeneboronic 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.20251128 | 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS915402-01-6
- Purity/Analytical Methods: >99.0%
915402-01-6 / [3-(3-fluoropropoxy)phenyl]boronic acid
Basic Information
CAS
915402-01-6
Multi CAS
No
Molecular Formula
BC9FH12O3
Molecular Weight
198.000000
Exact Mass
198.086353
InChI
InChI=1S/C9H12BFO3/c11-5-2-6-14-9-4-1-3-8(7-9)10(12)13/h1,3-4,7,12-13H,2,5-6H2
InChIKey
XWYJXAFWBGCCBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.35
TPSA
49.69
LogP / Solubility
WLOGP
0.1
MLOGP
0.09
XLogP3
0.1
Consensus LogP
0.1
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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