CAS RN: 267243-64-1
“N-(3-chloro-4-fluorophenyl)-7-(3-Morpholinopropoxy)-6-nitroquinazolin-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.20260523 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS267243-64-1
- Purity/Analytical Methods: >99.0%
267243-64-1 / N-(3-chloro-4-fluorophenyl)-7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine
Basic Information
CAS
267243-64-1
Multi CAS
No
Molecular Formula
C21H21ClFN5O4
Molecular Weight
461.900000
Exact Mass
461.126610
SMILES
C1COCCN1CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-]
InChI
InChI=1S/C21H21ClFN5O4/c22-16-10-14(2-3-17(16)23)26-21-15-11-19(28(29)30)20(12-18(15)24-13-25-21)32-7-1-4-27-5-8-31-9-6-27/h2-3,10-13H,1,4-9H2,(H,24,25,26)
InChIKey
QVZKEQDJKMFEDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
16
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
1
Molar refractivity
118.26
TPSA
102.65
LogP / Solubility
WLOGP
4.18
MLOGP
3.71
XLogP3
4
Consensus LogP
3.96
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.57
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
3
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