CAS RN: 132877-27-1
5-TRIFLUOROMETHOXY-1H-BENZIMIDAZOLE-2-AMINE
- Product code: SSC-039595
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 5 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 1g | -- | 5 In Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 5 In Stock | Beijing | Inquiry |
132877-27-1 / 6-(trifluoromethoxy)-1H-benzimidazol-2-amine
Basic Information
CAS
132877-27-1
Multi CAS
No
Molecular Formula
C8H6F3N3O
Molecular Weight
217.150000
Exact Mass
217.046296
SMILES
C1=CC2=C(C=C1OC(F)(F)F)NC(=N2)N
InChI
InChI=1S/C8H6F3N3O/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H3,12,13,14)
InChIKey
PKVNYLKKHHYCHH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.19
TPSA
63.93
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
1.8
Consensus LogP
1.88
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
D-glycero-D-galacto-2-Nonulopyranosonic acid, 5-(acetylaMino)-2-chloro-2,3,5-trideoxy-, Methyl ester, 4,7,8,9-tetraacetate
- CAS RN: 132883-18-2
- Product Code: SSC-039599
-
-
-
2-Amino-1,6-dimethylimidazo[4,5-b]pyridine
- CAS RN: 132898-04-5
- Product Code: starshine_CAS132898-04-5
- Purity/Analytical method: >99.0%
-
2-Amino-3,4,7,8-tetramethyl-3H-imidazo[4,5-F]quinoxaline
- CAS RN: 132898-07-8
- Product Code: starshine_CAS132898-07-8
- Purity/Analytical method: >99.0%
-
![CAS 132896-18-5 5-TRIFLUOROMETHYLBENZO[B]THIOPHENE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/132896-18-5.gif)
![CAS 132898-03-4 1H-Imidazo[4,5-b]pyridin-2-amine(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/132898-03-4.gif)
![CAS 132898-04-5 2-Amino-1,6-dimethylimidazo[4,5-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/132898-04-5.gif)
![CAS 132898-07-8 2-Amino-3,4,7,8-tetramethyl-3H-imidazo[4,5-F]quinoxaline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/132898-07-8.gif)
