CAS RN: 1150654-57-1
Ethyl phenoxyacetate-4-trifluoroborate potassium salt
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
- Product code: starshine_CAS1150654-57-1
- Purity/Analytical Methods: >99.0%
1150654-57-1 / potassium [4-(2-ethoxy-2-oxoethoxy)phenyl]-trifluoroboranuide
ETHYL PHENOXYACETATE-4-TRIFLUOROBORATE POTASSIUM SALT | Potassium (4-(2-ethoxy-2-oxoethoxy)phenyl)trifluoroborate | MFCD09260451
Basic Information
CAS
1150654-57-1
Multi CAS
Yes
Molecular Formula
C10H11BF3KO3
Molecular Weight
286.100000
Exact Mass
286.039040
SMILES
[B-](C1=CC=C(C=C1)OCC(=O)OCC)(F)(F)F.[K+]
InChI
InChI=1S/C10H11BF3O3.K/c1-2-16-10(15)7-17-9-5-3-8(4-6-9)11(12,13)14;/h3-6H,2,7H2,1H3;/q-1;+1
InChIKey
DHFZZPHCWFAYGB-UHFFFAOYSA-N
Synonyms
ETHYL PHENOXYACETATE-4-TRIFLUOROBORATE POTASSIUM SALT
Potassium (4-(2-ethoxy-2-oxoethoxy)phenyl)trifluoroborate
MFCD09260451
Borate(1-), [4-(2-ethoxy-2-oxoethoxy)phenyl]trifluoro-, potassium (1:1), (T-4)-
Potassium (4-{[(ethoxycarbonyl)methyl]oxy}phenyl)trifluoroborate
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
57.28
TPSA
35.53
LogP / Solubility
WLOGP
-1.31
MLOGP
-1.15
XLogP3
-1.31
Consensus LogP
-1.26
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.03
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
Potassium 3-trifluoroborato-1-morpholinopropan-1-one
- CAS RN: 1150654-74-2
- Product Code: SSC-014810
-
2,2-Dimethylpropyltrifluoroborate potassium salt
- CAS RN: 1150655-02-9
- Product Code: SSC-014812
-
Potassium 2-fluoro-4-(trifluoromethyl)phenyltrifluoroborate
- CAS RN: 1150655-12-1
- Product Code: starshine_CAS1150655-12-1
- Purity/Analytical method: >99.0%
-
(R)-N-Boc-2-(4′-pentenyl)glycine
- CAS RN: 1150697-96-3
- Product Code: starshine_CAS1150697-96-3
- Purity/Analytical method: >99.0%
-
1-[(3,4-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide
- CAS RN: 1150701-66-8
- Product Code: starshine_CAS1150701-66-8
- Purity/Analytical method: >99.0%
-
(R)-Ethyl 2,4,5-trifluoro-b-homophenylalaninateHCl
- CAS RN: 1151240-91-3
- Product Code: starshine_CAS1151240-91-3
- Purity/Analytical method: >99.0%
![CAS 1150701-66-8 1-[(3,4-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1150701-66-8.gif)
