CAS RN: 52429-99-9
PHOSPHORIC ACID TRIS(8-QUINOLYL ESTER)
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.20250126 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS52429-99-9
- Purity/Analytical Methods: >99.0%
52429-99-9 / triquinolin-8-yl phosphate
Basic Information
CAS
52429-99-9
Multi CAS
Yes
Molecular Formula
C27H18N3O4P
Molecular Weight
479.400000
Exact Mass
479.103493
InChI
InChI=1S/C27H18N3O4P/c31-35(32-22-13-1-7-19-10-4-16-28-25(19)22,33-23-14-2-8-20-11-5-17-29-26(20)23)34-24-15-3-9-21-12-6-18-30-27(21)24/h1-18H
InChIKey
RFZXFOYQOFYOKR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
30
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
134.72
TPSA
83.43
LogP / Solubility
WLOGP
6.98
MLOGP
6.17
XLogP3
5.8
Consensus LogP
6.32
Log S (ESOL)
-7.45
Class (ESOL)
Insoluble
Log S (Ali)
-8.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.29
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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