CAS RN: 1256358-57-2
4-(4-Chloro-2-fluorophenoxy)phenylboronic 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.20260116 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1256358-57-2
- Purity/Analytical Methods: >99.0%
1256358-57-2 / [4-(4-chloro-2-fluorophenoxy)phenyl]boronic acid
Basic Information
CAS
1256358-57-2
Multi CAS
No
Molecular Formula
C12H9BClFO3
Molecular Weight
266.460000
Exact Mass
266.031730
SMILES
B(C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)F)(O)O
InChI
InChI=1S/C12H9BClFO3/c14-9-3-6-12(11(15)7-9)18-10-4-1-8(2-5-10)13(16)17/h1-7,16-17H
InChIKey
UQQJHJBZZCELBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
67.75
TPSA
49.69
LogP / Solubility
WLOGP
1.95
MLOGP
1.73
XLogP3
1.95
Consensus LogP
1.88
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
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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