CAS RN: 557770-90-8
7-(3-CHLOROPROPOXY)-4-CHLOROQUINAZOLINE
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.20260421 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS557770-90-8
- Purity/Analytical Methods: >99.0%
557770-90-8 / 4-chloro-7-(3-chloropropoxy)quinazoline
Basic Information
CAS
557770-90-8
Multi CAS
Yes
Molecular Formula
C11H10CL2N2O
Molecular Weight
257.110000
Exact Mass
256.017018
InChI
InChI=1S/C11H10Cl2N2O/c12-4-1-5-16-8-2-3-9-10(6-8)14-7-15-11(9)13/h2-3,6-7H,1,4-5H2
InChIKey
VBZLRVSRTGORCZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
65.38
TPSA
35.01
LogP / Solubility
WLOGP
3.29
MLOGP
2.9
XLogP3
3.4
Consensus LogP
3.2
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly 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)
-1.95
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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