CAS RN: 640297-84-3
3,8-bis(ethynyl)-1,10-phenanthroline
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260225 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS640297-84-3
- Purity/Analytical Methods: >99.0%
640297-84-3 / 3,8-diethynyl-1,10-phenanthroline
Basic Information
CAS
640297-84-3
Multi CAS
No
Molecular Formula
C16H8N2
Molecular Weight
228.250000
Exact Mass
228.068748
InChI
InChI=1S/C16H8N2/c1-3-11-7-13-5-6-14-8-12(4-2)10-18-16(14)15(13)17-9-11/h1-2,5-10H
InChIKey
ZCPVSKKKVVMMPV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
14
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
72.91
TPSA
25.78
LogP / Solubility
WLOGP
2.75
MLOGP
2.42
XLogP3
3
Consensus LogP
2.72
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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