CAS RN: 773883-32-2
2,9-Di-(2′-pyridyl)-1,10-phenanthroline
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS773883-32-2
- Purity/Analytical Methods: >99.0%
773883-32-2 / 2,9-dipyridin-2-yl-1,10-phenanthroline
Basic Information
CAS
773883-32-2
Multi CAS
No
Molecular Formula
C22H14N4
Molecular Weight
334.400000
Exact Mass
334.121846
InChI
InChI=1S/C22H14N4/c1-3-13-23-17(5-1)19-11-9-15-7-8-16-10-12-20(18-6-2-4-14-24-18)26-22(16)21(15)25-19/h1-14H
InChIKey
UAPZXFSSFAIVFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
26
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
103.51
TPSA
51.56
LogP / Solubility
WLOGP
4.91
MLOGP
4.33
XLogP3
3.7
Consensus LogP
4.31
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.15
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)
-1.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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