CAS RN: 796090-28-3
5-CHLORO-4-(TRIFLUOROMETHYL)NICOTINIC ACID
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.20260314 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS796090-28-3
- Purity/Analytical Methods: >99.0%
796090-28-3 / 5-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid
Basic Information
CAS
796090-28-3
Multi CAS
No
Molecular Formula
C7H3CLF3NO2
Molecular Weight
225.550000
Exact Mass
224.980441
InChI
InChI=1S/C7H3ClF3NO2/c8-4-2-12-1-3(6(13)14)5(4)7(9,10)11/h1-2H,(H,13,14)
InChIKey
RIJPVCHVTGJIJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.21
TPSA
50.19
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
1.9
Consensus LogP
2.17
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-2.35
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
-
(S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester
- CAS RN: 796096-64-5
- Product Code: SSC-188740
-
tert-butyl 4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)piperidine-1-carboxylate
- CAS RN: 796113-35-4
- Product Code: SSC-188742
-
2-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)acetamide
- CAS RN: 796115-75-8
- Product Code: starshine_CAS796115-75-8
- Purity/Analytical method: >99.0%
-
Methyl 3-hydroxy-5-(trifluoroMethyl)benzoate
- CAS RN: 796119-63-6
- Product Code: SSC-188743
-
-
