CAS RN: 873790-28-4
2,5-DIMETHYL-1-(2,2,2-TRIFLUOROETHYL)-1H-PYRROLE-3-CARBOXYLIC ACID
- Product code: SSC-197229
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
- Available purity: >97%
- Inventory rows with stock: 5
- 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 | -- | 1 In Stock | Beijing | Inquiry |
| 0.1g | >97% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 1g | -- | 1 In Stock | Shanghai | Inquiry |
| 1g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 5g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 5g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
873790-28-4 / 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxylic acid
Basic Information
CAS
873790-28-4
Multi CAS
No
Molecular Formula
C9F3H10NO2
Molecular Weight
221.180000
Exact Mass
221.066363
InChI
InChI=1S/C9H10F3NO2/c1-5-3-7(8(14)15)6(2)13(5)4-9(10,11)12/h3H,4H2,1-2H3,(H,14,15)
InChIKey
ZYOPSRRCTHKRMZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.92
TPSA
42.23
LogP / Solubility
WLOGP
2.37
MLOGP
2.08
XLogP3
2
Consensus LogP
2.15
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly 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)
-2.39
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
-
-
4,5-DICHLORO-1H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE
- CAS RN: 873792-86-0
- Product Code: starshine_CAS873792-86-0
- Purity/Analytical method: >99.0%
-
5-BROMO-4-CHLORO-1H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE
- CAS RN: 873792-87-1
- Product Code: starshine_CAS873792-87-1
- Purity/Analytical method: >99.0%
-
2-CHLORO-N-[4-[(2,6-DIMETHYLMORPHOLIN-4-YL)SULFONYL]PHENYL]ACETAMIDE
- CAS RN: 873810-49-2
- Product Code: SSC-197232
-
BMS-599626
- CAS RN: 873837-23-1
- Product Code: starshine_CAS873837-23-1
- Purity/Analytical method: >99.0%
-
2-(1-Hydroxypentyl)-6-Methyl-3-(2-phenylethyl)-1H-indole-5-carboxylic Acid
- CAS RN: 873841-43-1
- Product Code: starshine_CAS873841-43-1
- Purity/Analytical method: >99.0%
![CAS 873792-86-0 4,5-DICHLORO-1H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/873792-86-0.gif)
![CAS 873792-87-1 5-BROMO-4-CHLORO-1H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/873792-87-1.gif)
![CAS 873810-49-2 2-CHLORO-N-[4-[(2,6-DIMETHYLMORPHOLIN-4-YL)SULFONYL]PHENYL]ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1269925.gif)
