CAS RN: 59237-49-9
Methyl 6-Methoxy-5-nitronicotinate
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.20250716 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS59237-49-9
- Purity/Analytical Methods: >99.0%
59237-49-9 / methyl 6-methoxy-5-nitropyridine-3-carboxylate
Basic Information
CAS
59237-49-9
Multi CAS
No
Molecular Formula
C8H8N2O5
Molecular Weight
212.160000
Exact Mass
212.043321
InChI
InChI=1S/C8H8N2O5/c1-14-7-6(10(12)13)3-5(4-9-7)8(11)15-2/h3-4H,1-2H3
InChIKey
YVGHVJUGJZGYPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
48.78
TPSA
91.56
LogP / Solubility
WLOGP
0.78
MLOGP
0.69
XLogP3
0.8
Consensus LogP
0.76
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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