CAS RN: 1823381-69-6
Quinazoline, 2-bromo-5-chloro-
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.20250301 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823381-69-6
- Purity/Analytical Methods: >99.0%
1823381-69-6 / 2-bromo-5-chloroquinazoline
Basic Information
CAS
1823381-69-6
Multi CAS
No
Molecular Formula
C8H4BrClN2
Molecular Weight
243.490000
Exact Mass
241.924640
SMILES
C1=CC2=NC(=NC=C2C(=C1)Cl)Br
InChI
InChI=1S/C8H4BrClN2/c9-8-11-4-5-6(10)2-1-3-7(5)12-8/h1-4H
InChIKey
OCSCBIXEPUZHOM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
52.25
TPSA
25.78
LogP / Solubility
WLOGP
3.05
MLOGP
2.69
XLogP3
3.2
Consensus LogP
2.98
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
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)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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