CAS RN: 74470-43-2
Methyl 5-(Methylthio)nicotinate
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.20250601 | 2g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS74470-43-2
- Purity/Analytical Methods: >99.0%
74470-43-2 / methyl 5-methylsulfanylpyridine-3-carboxylate
Basic Information
CAS
74470-43-2
Multi CAS
No
Molecular Formula
C8H9NO2S
Molecular Weight
183.230000
Exact Mass
183.035400
InChI
InChI=1S/C8H9NO2S/c1-11-8(10)6-3-7(12-2)5-9-4-6/h3-5H,1-2H3
InChIKey
MCBPMUHKVUPWEH-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
47.36
TPSA
39.19
LogP / Solubility
WLOGP
1.59
MLOGP
1.4
XLogP3
1.2
Consensus LogP
1.4
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately 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)
-2.71
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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