CAS RN: 144342-48-3
4,4-DI(FURAN-2-YL)-6,6-DIMETHYL-2,2-BIPYRIDINE
Product Availability
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4 package records2 with current stock1 grade group
- Product code: starshine_CAS144342-48-3
- Purity/Analytical Methods: >99.0%
144342-48-3 / 4-(furan-2-yl)-2-[4-(furan-2-yl)-6-methyl-2-pyridinyl]-6-methylpyridine
Basic Information
CAS
144342-48-3
Multi CAS
No
Molecular Formula
C20H16N2O2
Molecular Weight
316.400000
Exact Mass
316.121178
SMILES
CC1=CC(=CC(=N1)C2=NC(=CC(=C2)C3=CC=CO3)C)C4=CC=CO4
InChI
InChI=1S/C20H16N2O2/c1-13-9-15(19-5-3-7-23-19)11-17(21-13)18-12-16(10-14(2)22-18)20-6-4-8-24-20/h3-12H,1-2H3
InChIKey
RIGMCTLVQLAHJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
22
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
92.35
TPSA
52.06
LogP / Solubility
WLOGP
5.28
MLOGP
4.66
XLogP3
3.7
Consensus LogP
4.55
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.46
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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