CAS RN: 15702-72-4
Bis(2,2-bipyridyl)dichloroOsmium(II)
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS15702-72-4
- Purity/Analytical Methods: >99.0%
15702-72-4 / 2-pyridin-2-ylpyridine
Basic Information
CAS
15702-72-4
Multi CAS
No
Molecular Formula
C20H16N4
Molecular Weight
312.400000
Exact Mass
312.137497
SMILES
C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2
InChI
InChI=1S/2C10H8N2/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10/h2*1-8H
InChIKey
XLXJSJOICYRXSE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
24
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
94.94
TPSA
51.56
LogP / Solubility
WLOGP
4.29
MLOGP
3.79
XLogP3
4.29
Consensus LogP
4.12
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.49
Class (SILICOS-IT)
Slightly soluble
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)
-1.58
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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