CAS RN: 1698911-97-5
“1,4-bis(methoxy)-2,5-bis(4,2′:6′,4″”-terpyridin-4′-yl)benzene”
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260111 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1698911-97-5
- Purity/Analytical Methods: >99.0%
1698911-97-5 / 4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)-2,5-dimethoxyphenyl]-2,6-dipyridin-4-ylpyridine
Basic Information
CAS
1698911-97-5
Multi CAS
No
Molecular Formula
C38H28N6O2
Molecular Weight
600.700000
Exact Mass
600.227374
SMILES
COC1=CC(=C(C=C1C2=CC(=NC(=C2)C3=CC=NC=C3)C4=CC=NC=C4)OC)C5=CC(=NC(=C5)C6=CC=NC=C6)C7=CC=NC=C7
InChI
InChI=1S/C38H28N6O2/c1-45-37-23-32(30-21-35(27-7-15-41-16-8-27)44-36(22-30)28-9-17-42-18-10-28)38(46-2)24-31(37)29-19-33(25-3-11-39-12-4-25)43-34(20-29)26-5-13-40-14-6-26/h3-24H,1-2H3
InChIKey
OTUFRJIFFWACJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
42
Fraction Csp3
0.05
Rotatable bonds
8
H-bond acceptors
8
Molar refractivity
178.93
TPSA
95.8
LogP / Solubility
WLOGP
8.08
MLOGP
7.15
XLogP3
5.3
Consensus LogP
6.84
Log S (ESOL)
-8.8
Class (ESOL)
Insoluble
Log S (Ali)
-10.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.23
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.65
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6
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