CAS RN: 375382-77-7
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- Product code: starshine_CAS375382-77-7
- Purity/Analytical Methods: >99.0%
375382-77-7 / 4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine
Basic Information
CAS
375382-77-7
Multi CAS
No
Molecular Formula
C19H13N3O
Molecular Weight
299.300000
Exact Mass
299.105862
InChI
InChI=1S/C19H13N3O/c1-3-9-20-15(6-1)17-12-14(19-8-5-11-23-19)13-18(22-17)16-7-2-4-10-21-16/h1-13H
InChIKey
VRHUPYNXILOLJW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
23
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
88.4
TPSA
51.81
LogP / Solubility
WLOGP
4.47
MLOGP
3.94
XLogP3
2.8
Consensus LogP
3.74
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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