CAS RN: 2140305-93-5
7-Bromo-4-methoxyquinazoline
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.20250609 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2140305-93-5
- Purity/Analytical Methods: >99.0%
2140305-93-5 / 7-bromo-4-methoxyquinazoline
Basic Information
CAS
2140305-93-5
Multi CAS
No
Molecular Formula
C9H7BrN2O
Molecular Weight
239.070000
Exact Mass
237.974180
SMILES
COC1=NC=NC2=C1C=CC(=C2)Br
InChI
InChI=1S/C9H7BrN2O/c1-13-9-7-3-2-6(10)4-8(7)11-5-12-9/h2-5H,1H3
InChIKey
JNJALIJCOKXZRG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
53.79
TPSA
35.01
LogP / Solubility
WLOGP
2.4
MLOGP
2.12
XLogP3
2.7
Consensus LogP
2.41
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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)
-2.47
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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