CAS RN: 1428884-69-8
Potassium (1-BOC-indol-3-yl)trifluoroboranuide
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock1 grade group
- Product code: starshine_CAS1428884-69-8
- Purity/Analytical Methods: >99.0%
1428884-69-8 / potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]boranuide
Basic Information
CAS
1428884-69-8
Multi CAS
No
Molecular Formula
C13H14BF3KNO2
Molecular Weight
323.160000
Exact Mass
323.070675
SMILES
[B-](C1=CN(C2=CC=CC=C12)C(=O)OC(C)(C)C)(F)(F)F.[K+]
InChI
InChI=1S/C13H14BF3NO2.K/c1-13(2,3)20-12(19)18-8-10(14(15,16)17)9-6-4-5-7-11(9)18;/h4-8H,1-3H3;/q-1;+1
InChIKey
FTYXBMCWOZEIPQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
72.28
TPSA
31.23
LogP / Solubility
WLOGP
0.48
MLOGP
0.44
XLogP3
0.48
Consensus LogP
0.47
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-4.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
4,4′-Bis(3-((4-vinylphenoxy)methyl)-9H -carbazol-9-yl)biphenyl
- CAS RN: 1428901-78-3
- Product Code: SSC-054154
-
2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
- CAS RN: 1428929-59-2
- Product Code: SSC-054157
-
Carbamic acid, N-[[4-[chloro(hydroxyimino)methyl]phenyl]methyl]-N-methyl-, 1,1-dimethylethyl ester
- CAS RN: 1428935-49-2
- Product Code: SSC-054169
-
5-bromo-N-methyl-N-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)pyridin-2-amine
- CAS RN: 1428960-81-9
- Product Code: SSC-054178
-
1429042-41-0
- CAS RN: 1429042-41-0
- Product Code: starshine_CAS1429042-41-0
- Purity/Analytical method: >99.0%
-
IDF-11774
- CAS RN: 1429054-28-3
- Product Code: starshine_CAS1429054-28-3
- Purity/Analytical method: >99.0%
![CAS 1428929-59-2 2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1428929-59-2.gif)
![CAS 1428935-49-2 Carbamic acid, N-[[4-[chloro(hydroxyimino)methyl]phenyl]methyl]-N-methyl-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1428935-49-2.gif)
