CAS RN: 540466-42-0
2-(4-Bromophenyl)-4-phenylquinazoline
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-161552
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
540466-42-0 / 2-(4-bromophenyl)-4-phenylquinazoline
Basic Information
CAS
540466-42-0
Multi CAS
No
Molecular Formula
BC20H13Rn2
Molecular Weight
361.200000
Exact Mass
360.026210
InChI
InChI=1S/C20H13BrN2/c21-16-12-10-15(11-13-16)20-22-18-9-5-4-8-17(18)19(23-20)14-6-2-1-3-7-14/h1-13H
InChIKey
FARAOARIVJZINN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
98.11
TPSA
25.78
LogP / Solubility
WLOGP
5.73
MLOGP
5.06
XLogP3
5.1
Consensus LogP
5.3
Log S (ESOL)
-6.26
Class (ESOL)
Insoluble
Log S (Ali)
-6.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
