CAS RN: 1390624-20-0
2-Pyridinecarboxylic acid, 6-(4-fluorophenyl)-, methyl ester
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.20251126 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1390624-20-0
- Purity/Analytical Methods: >99.0%
1390624-20-0 / methyl 6-(4-fluorophenyl)pyridine-2-carboxylate
Basic Information
CAS
1390624-20-0
Multi CAS
No
Molecular Formula
C13H10FNO2
Molecular Weight
231.220000
Exact Mass
231.069557
SMILES
COC(=O)C1=CC=CC(=N1)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H10FNO2/c1-17-13(16)12-4-2-3-11(15-12)9-5-7-10(14)8-6-9/h2-8H,1H3
InChIKey
CHYQGPBVPDBUPI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
60.97
TPSA
39.19
LogP / Solubility
WLOGP
2.67
MLOGP
2.36
XLogP3
2.8
Consensus LogP
2.61
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly 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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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