CAS RN: 13267-48-6
“2,2′-bipyridne-6,6′(1H,1’H)-dione,1,1′-diMethyl-“
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.20251224 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS13267-48-6
- Purity/Analytical Methods: >99.0%
13267-48-6 / 1-methyl-6-(1-methyl-6-oxo-2-pyridinyl)pyridin-2-one
Basic Information
CAS
13267-48-6
Multi CAS
No
Molecular Formula
C12H12N2O2
Molecular Weight
216.240000
Exact Mass
216.089878
SMILES
CN1C(=O)C=CC=C1C2=CC=CC(=O)N2C
InChI
InChI=1S/C12H12N2O2/c1-13-9(5-3-7-11(13)15)10-6-4-8-12(16)14(10)2/h3-8H,1-2H3
InChIKey
HLIZBVKKSJWFLV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
62.36
TPSA
44
LogP / Solubility
WLOGP
0.75
MLOGP
0.66
XLogP3
0.5
Consensus LogP
0.64
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-3.51
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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