CAS RN: 537705-05-8
6-iodo-N-(3-Methyl-4-((6-Methylpyridin-3-yl)oxy)phenyl)quinazolin-4-aMine
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.20260106 | 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS537705-05-8
- Purity/Analytical Methods: >99.0%
537705-05-8 / 6-iodo-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
Basic Information
CAS
537705-05-8
Multi CAS
No
Molecular Formula
C21H17In4O
Molecular Weight
468.300000
Exact Mass
468.044710
InChI
InChI=1S/C21H17IN4O/c1-13-9-16(5-8-20(13)27-17-6-3-14(2)23-11-17)26-21-18-10-15(22)4-7-19(18)24-12-25-21/h3-12H,1-2H3,(H,24,25,26)
InChIKey
HZMVPCBYZKYRMS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
22
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
115.76
TPSA
59.93
LogP / Solubility
WLOGP
5.78
MLOGP
5.12
XLogP3
5.3
Consensus LogP
5.4
Log S (ESOL)
-6.73
Class (ESOL)
Insoluble
Log S (Ali)
-7.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.98
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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