![CAS 142329-22-4 6-TRIFLUOROMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/142329-22-4.gif)
CAS RN: 142329-22-4
6-TRIFLUOROMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
- Product code: SSC-053188
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, 5g, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 11
- 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 | Beijing | Inquiry |
| 0.1g | >95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 1g | -- | 5 In Stock | Beijing | Inquiry |
| 1g | >95% | 5 In Stock | Beijing | Inquiry |
| 5g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 4 In Stock | Shanghai | Inquiry |
| 5g | -- | 3 In Stock | Beijing | Inquiry |
| 10g | -- | 3 In Stock | Shanghai | Inquiry |
| 25g | -- | 2 In Stock | Shenzhen | Inquiry |
| 25g | >95% | 0 Out of Stock | Shanghai | Inquiry |
142329-22-4 / 6-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid
Basic Information
CAS
142329-22-4
Multi CAS
No
Molecular Formula
C10H5F3O2S
Molecular Weight
246.210000
Exact Mass
245.996235
SMILES
C1=CC2=C(C=C1C(F)(F)F)SC(=C2)C(=O)O
InChI
InChI=1S/C10H5F3O2S/c11-10(12,13)6-2-1-5-3-8(9(14)15)16-7(5)4-6/h1-4H,(H,14,15)
InChIKey
HYHNPVVUDRTIJR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.79
TPSA
37.3
LogP / Solubility
WLOGP
3.62
MLOGP
3.19
XLogP3
3.7
Consensus LogP
3.5
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly 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)
-1.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 142329-23-5 6-fluorobenzo[b]thiophene-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/142329-23-5.gif)
