CAS RN: 2377610-07-4
5-Chloro-2,3-difluorophenylboronic 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.20251222 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2377610-07-4
- Purity/Analytical Methods: >99.0%
2377610-07-4 / (5-chloro-2,3-difluorophenyl)boronic acid
Basic Information
CAS
2377610-07-4
Multi CAS
No
Molecular Formula
C6H4BClF2O2
Molecular Weight
192.360000
Exact Mass
191.996094
SMILES
B(C1=CC(=CC(=C1F)F)Cl)(O)O
InChI
InChI=1S/C6H4BClF2O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,11-12H
InChIKey
HQWCUVBLTRKJRJ-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
41.19
TPSA
40.46
LogP / Solubility
WLOGP
0.3
MLOGP
0.26
XLogP3
0.3
Consensus LogP
0.29
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
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)
-3.68
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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