![CAS 137640-84-7 6-[3-(trifluoromethyl)phenoxy]-2-pyridinecarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/137640-84-7.gif)
CAS RN: 137640-84-7
6-[3-(trifluoromethyl)phenoxy]-2-pyridinecarboxylic 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.20251220 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS137640-84-7
- Purity/Analytical Methods: >99.0%
137640-84-7 / 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
Basic Information
CAS
137640-84-7
Multi CAS
No
Molecular Formula
C13H8F3NO3
Molecular Weight
283.200000
Exact Mass
283.045628
SMILES
C1=CC(=CC(=C1)OC2=CC=CC(=N2)C(=O)O)C(F)(F)F
InChI
InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-6-2-5-10(17-11)12(18)19/h1-7H,(H,18,19)
InChIKey
LFRASJXUIQMIMC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.71
TPSA
59.42
LogP / Solubility
WLOGP
3.59
MLOGP
3.17
XLogP3
3.5
Consensus LogP
3.42
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
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)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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