CAS RN: 131610-21-4
6-(bromomethyl)quinazoline
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.20250629 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS131610-21-4
- Purity/Analytical Methods: >99.0%
131610-21-4 / 6-(bromomethyl)quinazoline
Basic Information
CAS
131610-21-4
Multi CAS
No
Molecular Formula
C9H7BrN2
Molecular Weight
223.070000
Exact Mass
221.979260
SMILES
C1=CC2=NC=NC=C2C=C1CBr
InChI
InChI=1S/C9H7BrN2/c10-4-7-1-2-9-8(3-7)5-11-6-12-9/h1-3,5-6H,4H2
InChIKey
QTIZTQIKKKOUNU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.17
TPSA
25.78
LogP / Solubility
WLOGP
2.52
MLOGP
2.22
XLogP3
1.6
Consensus LogP
2.11
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
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)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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