![CAS 264208-55-1 Quinazoline, 4-chloro-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/264208-55-1.gif)
CAS RN: 264208-55-1
Quinazoline, 4-chloro-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-
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.20250622 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS264208-55-1
- Purity/Analytical Methods: >99.0%
264208-55-1 / 4-chloro-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
Basic Information
CAS
264208-55-1
Multi CAS
No
Molecular Formula
C17H23ClN4O2
Molecular Weight
350.800000
Exact Mass
350.150954
InChI
InChI=1S/C17H23ClN4O2/c1-21-5-7-22(8-6-21)4-3-9-24-16-11-14-13(10-15(16)23-2)17(18)20-12-19-14/h10-12H,3-9H2,1-2H3
InChIKey
IEPCUHXQCIATQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.53
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
95.15
TPSA
50.72
LogP / Solubility
WLOGP
2.31
MLOGP
2.05
XLogP3
2.7
Consensus LogP
2.35
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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