CAS RN: 59786-32-2
3-Methoxypyridine-4-carboxylic acid 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.20251003 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS59786-32-2
- Purity/Analytical Methods: >99.0%
59786-32-2 / methyl 3-methoxypyridine-4-carboxylate
Basic Information
CAS
59786-32-2
Multi CAS
No
Molecular Formula
C8H9NO3
Molecular Weight
167.160000
Exact Mass
167.058243
InChI
InChI=1S/C8H9NO3/c1-11-7-5-9-4-3-6(7)8(10)12-2/h3-5H,1-2H3
InChIKey
HYCYELWAHJCFLA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
42.13
TPSA
48.42
LogP / Solubility
WLOGP
0.88
MLOGP
0.77
XLogP3
0.7
Consensus LogP
0.78
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 59793-29-2 [1,1′-BIPHENYL]-4-ACETIC ACID METHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59793-29-2.gif)
![CAS 59795-47-0 [1,1′-Biphenyl]-2,2′,5,5′-tetracarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59795-47-0.gif)
