![CAS 67442-90-4 1-MERCAPTO-4-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB4196389.gif)
CAS RN: 67442-90-4
1-MERCAPTO-4-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5-ONE
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.20260426 | 20mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS67442-90-4
- Purity/Analytical Methods: >99.0%
67442-90-4 / 4-phenyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Basic Information
CAS
67442-90-4
Multi CAS
No
Molecular Formula
C15H10N4OS
Molecular Weight
294.300000
Exact Mass
294.057532
InChI
InChI=1S/C15H10N4OS/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
BBOIHUVLVRRIDB-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
83.48
TPSA
55.09
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
2.6
Consensus LogP
2.56
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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