![CAS 67629-33-8 4-Phenyl-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/67629-33-8.png)
CAS RN: 67629-33-8
4-Phenyl-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
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.20251209 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: LINP929696
67629-33-8 / 4-phenyl-2H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
Basic Information
CAS
67629-33-8
Multi CAS
Yes
Molecular Formula
C15H10N4O2
Molecular Weight
278.260000
Exact Mass
278.080376
InChI
InChI=1S/C15H10N4O2/c20-13-11-8-4-5-9-12(11)19-14(16-17-15(19)21)18(13)10-6-2-1-3-7-10/h1-9H,(H,17,21)
InChIKey
YNJRWDBNJZZHNY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
19
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
78.92
TPSA
72.16
LogP / Solubility
WLOGP
1.33
MLOGP
1.18
XLogP3
2
Consensus LogP
1.5
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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