![CAS 573675-91-9 2-METHYL-7-[3-(TRIFLUOROMETHYL)PYRIDIN-2-YL]QUINAZOLIN-4-OL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/573675-91-9.gif)
CAS RN: 573675-91-9
2-METHYL-7-[3-(TRIFLUOROMETHYL)PYRIDIN-2-YL]QUINAZOLIN-4-OL
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.20250923 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS573675-91-9
- Purity/Analytical Methods: >99.0%
573675-91-9 / 2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one
Basic Information
CAS
573675-91-9
Multi CAS
Yes
Molecular Formula
C15F3H10N3O
Molecular Weight
305.250000
Exact Mass
305.077596
InChI
InChI=1S/C15H10F3N3O/c1-8-20-12-7-9(4-5-10(12)14(22)21-8)13-11(15(16,17)18)3-2-6-19-13/h2-7H,1H3,(H,20,21,22)
InChIKey
RBTPGYRZCVMPLP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.13
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.33
TPSA
58.64
LogP / Solubility
WLOGP
3.31
MLOGP
2.93
XLogP3
2.2
Consensus LogP
2.81
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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