CAS RN: 910484-32-1
TTA-Q6(isomer)
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.20250106 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS910484-32-1
- Purity/Analytical Methods: >99.0%
910484-32-1 / 4-[6-chloro-4-cyclopropyl-2-oxo-3-(2,2,2-trifluoroethyl)-1H-quinazolin-4-yl]benzonitrile
Basic Information
CAS
910484-32-1
Multi CAS
Yes
Molecular Formula
C20H15CLF3N3O
Molecular Weight
405.800000
Exact Mass
405.085574
InChI
InChI=1S/C20H15ClF3N3O/c21-15-7-8-17-16(9-15)20(14-5-6-14,13-3-1-12(10-25)2-4-13)27(18(28)26-17)11-19(22,23)24/h1-4,7-9,14H,5-6,11H2,(H,26,28)
InChIKey
OVRNWJYZCIAMGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
97.89
TPSA
56.13
LogP / Solubility
WLOGP
5.28
MLOGP
4.67
XLogP3
4.4
Consensus LogP
4.78
Log S (ESOL)
-5.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.04
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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