CAS RN: 1451393-17-1
2,3-Dichloro-6-fluorophenylboronic 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.20251027 | 100mg / 250mg / 1g | Out of stock | 3-5 business days | Inquiry |
- Product code: starshine_CAS1451393-17-1
- Purity/Analytical Methods: >99.0%
1451393-17-1 / (2,3-dichloro-6-fluorophenyl)boronic acid
Basic Information
CAS
1451393-17-1
Multi CAS
No
Molecular Formula
C6H4BCl2FO2
Molecular Weight
208.810000
Exact Mass
207.966543
SMILES
B(C1=C(C=CC(=C1Cl)Cl)F)(O)O
InChI
InChI=1S/C6H4BCl2FO2/c8-3-1-2-4(10)5(6(3)9)7(11)12/h1-2,11-12H
InChIKey
FUQOMAFSEYMNIS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.25
TPSA
40.46
LogP / Solubility
WLOGP
0.81
MLOGP
0.72
XLogP3
0.81
Consensus LogP
0.78
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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