CAS RN: 562086-30-0
4-methoxycarbonyl-6,6′-dimethyl-2,2′-bipyridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250611 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS562086-30-0
- Purity/Analytical Methods: >99.0%
562086-30-0 / methyl 2-methyl-6-(6-methyl-2-pyridinyl)pyridine-4-carboxylate
Basic Information
CAS
562086-30-0
Multi CAS
Yes
Molecular Formula
C14H14N2O2
Molecular Weight
242.270000
Exact Mass
242.105528
InChI
InChI=1S/C14H14N2O2/c1-9-5-4-6-12(15-9)13-8-11(14(17)18-3)7-10(2)16-13/h4-8H,1-3H3
InChIKey
ZCWQDYBOFKSIGM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
68.28
TPSA
52.08
LogP / Solubility
WLOGP
2.55
MLOGP
2.25
XLogP3
2.1
Consensus LogP
2.3
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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