![CAS 216163-53-0 4-[(3-BROMOPHENYL)AMINO]-6-PROPIONYLAMIDOQUINAZOLINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/216163-53-0.gif)
CAS RN: 216163-53-0
4-[(3-BROMOPHENYL)AMINO]-6-PROPIONYLAMIDOQUINAZOLINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251005 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS216163-53-0
- Purity/Analytical Methods: >99.0%
216163-53-0 / N-[4-(3-bromoanilino)quinazolin-6-yl]propanamide
Basic Information
CAS
216163-53-0
Multi CAS
No
Molecular Formula
C17H15BrN4O
Molecular Weight
371.200000
Exact Mass
370.042920
SMILES
CCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br
InChI
InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)
InChIKey
WUPUZEMRHDROEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
95.88
TPSA
66.91
LogP / Solubility
WLOGP
4.48
MLOGP
3.97
XLogP3
3.8
Consensus LogP
4.08
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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