CAS RN: 2187435-47-6
Methyl 4-(4-methoxybenzylamino)-6-fluoropyridine-3-carboxylate
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.20260315 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2187435-47-6
- Purity/Analytical Methods: >99.0%
2187435-47-6 / methyl 6-fluoro-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
Basic Information
CAS
2187435-47-6
Multi CAS
No
Molecular Formula
C15H15FN2O3
Molecular Weight
290.290000
Exact Mass
290.106671
SMILES
COC1=CC=C(C=C1)CNC2=CC(=NC=C2C(=O)OC)F
InChI
InChI=1S/C15H15FN2O3/c1-20-11-5-3-10(4-6-11)8-17-13-7-14(16)18-9-12(13)15(19)21-2/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKey
GJJFZYUTUGVXEN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
75.86
TPSA
60.45
LogP / Solubility
WLOGP
2.63
MLOGP
2.32
XLogP3
3.1
Consensus LogP
2.68
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.33
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 2188236-41-9 2-Pyridinecarboxamide, 4-[4-[[[[2-fluoro-5-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]amino]carbonyl]amino]phenoxy]-N-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2188236-41-9.png)
