CAS RN: 142929-11-1
2,2′-dimethoxy-4,4′-bipyridine
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS142929-11-1
- Purity/Analytical Methods: >99.0%
142929-11-1 / 2-methoxy-4-(2-methoxy-4-pyridinyl)pyridine
Basic Information
CAS
142929-11-1
Multi CAS
No
Molecular Formula
C12H12N2O2
Molecular Weight
216.240000
Exact Mass
216.089878
SMILES
COC1=NC=CC(=C1)C2=CC(=NC=C2)OC
InChI
InChI=1S/C12H12N2O2/c1-15-11-7-9(3-5-13-11)10-4-6-14-12(8-10)16-2/h3-8H,1-2H3
InChIKey
ZVEFTYPMUQYVTH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
60.57
TPSA
44.24
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
2
Consensus LogP
2.02
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
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)
-2.5
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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![CAS 142929-49-5 Acetic acid, [2-[[(1,1-dimethylethoxy)carbonyl]amino]ethoxy]- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/142929-49-5.gif)
