CAS RN: 66909-32-8
Methyl 2-hydroxy-5-Methylnicotinate
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.20260612 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS66909-32-8
- Purity/Analytical Methods: >99.0%
66909-32-8 / methyl 5-methyl-2-oxo-1H-pyridine-3-carboxylate
Basic Information
CAS
66909-32-8
Multi CAS
Yes
Molecular Formula
C8H9NO3
Molecular Weight
167.160000
Exact Mass
167.058243
InChI
InChI=1S/C8H9NO3/c1-5-3-6(8(11)12-2)7(10)9-4-5/h3-4H,1-2H3,(H,9,10)
InChIKey
BPZYSEKARXIMMX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.14
TPSA
59.16
LogP / Solubility
WLOGP
0.47
MLOGP
0.41
XLogP3
0.2
Consensus LogP
0.36
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
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)
-3.41
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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2-CHLORO-5-METHYL-NICOTINONITRILE
- CAS RN: 66909-34-0
- Product Code: starshine_CAS66909-34-0
- Purity/Analytical method: >99.0%
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