.gif)
CAS RN: 1432610-22-4
4,5-Difluoro-2-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.20251025 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1432610-22-4
- Purity/Analytical Methods: >99.0%
1432610-22-4 / (4,5-difluoro-2-hydroxyphenyl)boronic acid
Basic Information
CAS
1432610-22-4
Multi CAS
No
Molecular Formula
C6H5BF2O3
Molecular Weight
173.910000
Exact Mass
174.029981
SMILES
B(C1=CC(=C(C=C1O)F)F)(O)O
InChI
InChI=1S/C6H5BF2O3/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2,10-12H
InChIKey
YIKIRVLQGNKPFB-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
Customers Also Viewed
-
(S)-(((1-(6-aMino-9H-purin-9-yl)propan-2-yloxy)Methyl)phosphoryl)bis(oxy)bis(Methylene) isopropyl dicarbonate fuMarate
- CAS RN: 1432630-26-6
- Product Code: starshine_CAS1432630-26-6
- Purity/Analytical method: >99.0%
-
-
2-IsopropylMorpholine hydrochloride
- CAS RN: 1432678-91-5
- Product Code: starshine_CAS1432678-91-5
- Purity/Analytical method: >99.0%
-
-
2-[5-(trifluoromethyl)thiophen-2-yl]ethan-1-amine hydrochloride
- CAS RN: 1432679-31-6
- Product Code: starshine_CAS1432679-31-6
- Purity/Analytical method: >99.0%
-
N-Methyl-1-(5-Methyl-1,2,4-Oxadiazol-3-Yl)Methanamine Hydrochloride
- CAS RN: 1432679-78-1
- Product Code: SSC-054642
![CAS 1432679-31-6 2-[5-(trifluoromethyl)thiophen-2-yl]ethan-1-amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1432679-31-6.gif)
