CAS RN: 452342-99-3
4-METHYL-2-(4-TRIFLUOROMETHYL-PHENYL)-PYRIDINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250501 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS452342-99-3
- Purity/Analytical Methods: >99.0%
452342-99-3 / 4-methyl-2-[4-(trifluoromethyl)phenyl]pyridine
Basic Information
CAS
452342-99-3
Multi CAS
No
Molecular Formula
C13F3H10N
Molecular Weight
237.220000
Exact Mass
237.076534
InChI
InChI=1S/C13H10F3N/c1-9-6-7-17-12(8-9)10-2-4-11(5-3-10)13(14,15)16/h2-8H,1H3
InChIKey
WUGFYOADWKBVKZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
59.41
TPSA
12.89
LogP / Solubility
WLOGP
4.08
MLOGP
3.59
XLogP3
3.8
Consensus LogP
3.82
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.27
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
-
N-(3-bromophenyl)cyclohexanecarboxamide
- CAS RN: 452365-99-0
- Product Code: starshine_CAS452365-99-0
- Purity/Analytical method: >99.0%
-
-
-
6-Bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
- CAS RN: 452967-40-7
- Product Code: SSC-153061
-
6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
- CAS RN: 452967-47-4
- Product Code: SSC-153062
-
Imidazo[1,2-a]pyridin-2-yl-methylamine dihydrochloride
- CAS RN: 452967-56-5
- Product Code: starshine_CAS452967-56-5
- Purity/Analytical method: >99.0%
![CAS 452967-40-7 6-Bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/452967-40-7.gif)
![CAS 452967-47-4 6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/452967-47-4.gif)
![CAS 452967-56-5 Imidazo[1,2-a]pyridin-2-yl-methylamine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/452967-56-5.gif)