CAS RN: 1379466-84-8
3,4-Difluoro-5-hydroxyphenylboronic 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.20250310 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1379466-84-8
- Purity/Analytical Methods: >99.0%
1379466-84-8 / (3,4-difluoro-5-hydroxyphenyl)boronic acid
Basic Information
CAS
1379466-84-8
Multi CAS
No
Molecular Formula
C6H5BF2O3
Molecular Weight
173.910000
Exact Mass
174.029981
SMILES
B(C1=CC(=C(C(=C1)F)F)O)(O)O
InChI
InChI=1S/C6H5BF2O3/c8-4-1-3(7(11)12)2-5(10)6(4)9/h1-2,10-12H
InChIKey
MSOVFNUAYVHDBC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
37.85
TPSA
60.69
LogP / Solubility
WLOGP
-0.65
MLOGP
-0.57
XLogP3
-0.65
Consensus LogP
-0.62
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.52
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.24
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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