![CAS 53304-63-5 2′- 2′-[1,3-phenylenebis(oxy)]bis[5-nitro- (9CI)-Pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53304-63-5.gif)
CAS RN: 53304-63-5
2′- 2′-[1,3-phenylenebis(oxy)]bis[5-nitro- (9CI)-Pyridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250516 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS53304-63-5
- Purity/Analytical Methods: >99.0%
53304-63-5 / 5-nitro-2-[3-[(5-nitro-2-pyridinyl)oxy]phenoxy]pyridine
Basic Information
CAS
53304-63-5
Multi CAS
No
Molecular Formula
C16H10N4O6
Molecular Weight
354.270000
Exact Mass
354.060034
InChI
InChI=1S/C16H10N4O6/c21-19(22)11-4-6-15(17-9-11)25-13-2-1-3-14(8-13)26-16-7-5-12(10-18-16)20(23)24/h1-10H
InChIKey
MMFKMKSWZFZKIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Rotatable bonds
6
H-bond acceptors
8
Molar refractivity
88.37
TPSA
130.52
LogP / Solubility
WLOGP
3.88
MLOGP
3.43
XLogP3
3.2
Consensus LogP
3.5
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
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
Yes
Log Kp (skin permeation)
-2.13
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
2.5
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- CAS RN: 53309-35-6
- Product Code: starshine_CAS53309-35-6
- Purity/Analytical method: >99.0%
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