CAS RN: 2089316-22-1
2-chloro-7-iodoquinazoline
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.20250917 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2089316-22-1
- Purity/Analytical Methods: >99.0%
2089316-22-1 / 2-chloro-7-iodoquinazoline
Basic Information
CAS
2089316-22-1
Multi CAS
No
Molecular Formula
C8H4ClIN2
Molecular Weight
290.490000
Exact Mass
289.910770
SMILES
C1=CC2=CN=C(N=C2C=C1I)Cl
InChI
InChI=1S/C8H4ClIN2/c9-8-11-4-5-1-2-6(10)3-7(5)12-8/h1-4H
InChIKey
OACROEMKWMRRHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
57.27
TPSA
25.78
LogP / Solubility
WLOGP
2.89
MLOGP
2.55
XLogP3
3.2
Consensus LogP
2.88
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.95
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)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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