CAS RN: 1004997-71-0
6-(1H-IMIDAZOL-1-YL)-2-PHENYL-QUINAZOLINE
Product Availability
Choose a grade to view its available package options.
9 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251206 | 1mg / 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1004997-71-0
- Purity/Analytical Methods: >99.0%
1004997-71-0 / 6-imidazol-1-yl-2-phenylquinazoline
cr4056 | 6-(1H-imidazol-1-yl)-2-phenylquinazoline | CR-4056
Basic Information
CAS
1004997-71-0
Multi CAS
Yes
Molecular Formula
C17H12N4
Molecular Weight
272.300000
Exact Mass
272.106196
SMILES
C1=CC=C(C=C1)C2=NC=C3C=C(C=CC3=N2)N4C=CN=C4
InChI
InChI=1S/C17H12N4/c1-2-4-13(5-3-1)17-19-11-14-10-15(6-7-16(14)20-17)21-9-8-18-12-21/h1-12H
InChIKey
CSZGXYBGYFNSCO-UHFFFAOYSA-N
Synonyms
cr4056
6-(1H-imidazol-1-yl)-2-phenylquinazoline
CR-4056
Quinazoline, 6-(1H-imidazol-1-yl)-2-phenyl-
6-imidazol-1-yl-2-phenylquinazoline
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
21
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
82.1
TPSA
43.6
LogP / Solubility
WLOGP
3.48
MLOGP
3.07
XLogP3
3
Consensus LogP
3.18
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly 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)
-1.91
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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