![CAS 2377609-27-1 2-Hydroxy-5-[(trifluoromethyl)sulfanyl]phenylboronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92564125.gif)
CAS RN: 2377609-27-1
2-Hydroxy-5-[(trifluoromethyl)sulfanyl]phenylboronic acid
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS2377609-27-1
- Purity/Analytical Methods: >99.0%
2377609-27-1 / [2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]boronic acid
Basic Information
CAS
2377609-27-1
Multi CAS
No
Molecular Formula
C7H6BF3O3S
Molecular Weight
238.000000
Exact Mass
238.008280
SMILES
B(C1=C(C=CC(=C1)SC(F)(F)F)O)(O)O
InChI
InChI=1S/C7H6BF3O3S/c9-7(10,11)15-4-1-2-6(12)5(3-4)8(13)14/h1-3,12-14H
InChIKey
WQIVBVNQEZZDKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
49.84
TPSA
60.69
LogP / Solubility
WLOGP
0.68
MLOGP
0.61
XLogP3
0.68
Consensus LogP
0.66
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.01
Class (SILICOS-IT)
Moderately 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)
-3.69
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
Customers Also Viewed
-
-
2-(Ethoxycarbonyl)-1-benzothiophene-4-boronic acid, pinacol ester
- CAS RN: 2377609-47-5
- Product Code: SSC-115684
-
Methylbis[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]amine
- CAS RN: 2377609-51-1
- Product Code: starshine_CAS2377609-51-1
- Purity/Analytical method: >99.0%
-
2-Chloro-4-(1-cyanocyclopropyl)phenyl]boronic acid
- CAS RN: 2377609-59-9
- Product Code: starshine_CAS2377609-59-9
- Purity/Analytical method: >99.0%
-
2-Chloro-5-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- CAS RN: 2377609-79-3
- Product Code: SSC-115687
-
1-BOC-6-(Methoxycarbonyl)indole-3-boronic acid pinacol ester
- CAS RN: 2377609-81-7
- Product Code: SSC-115688
![CAS 2377609-51-1 Methylbis[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2377609-51-1.gif)
![CAS 2377609-59-9 2-Chloro-4-(1-cyanocyclopropyl)phenyl]boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2377609-59-9.gif)
