CAS RN: 942922-74-9
methyl 4-(2-(methoxycarbonyl)pyridin-4-yl)picolinate
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.20250912 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS942922-74-9
- Purity/Analytical Methods: >99.0%
942922-74-9 / methyl 4-(2-methoxycarbonyl-4-pyridinyl)pyridine-2-carboxylate
Basic Information
CAS
942922-74-9
Multi CAS
No
Molecular Formula
C14H12N2O4
Molecular Weight
272.260000
Exact Mass
272.079707
InChI
InChI=1S/C14H12N2O4/c1-19-13(17)11-7-9(3-5-15-11)10-4-6-16-12(8-10)14(18)20-2/h3-8H,1-2H3
InChIKey
AABONNZLGFYNCO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
70.15
TPSA
78.38
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
1.8
Consensus LogP
1.68
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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