![CAS 2232180-74-2 Quinoline, 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-7-methoxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2232180-74-2.gif)
CAS RN: 2232180-74-2
Quinoline, 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-7-methoxy-
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.20250502 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2232180-74-2
- Purity/Analytical Methods: >99.0%
2232180-74-2 / 3-(4-bromophenyl)-5-(7-methoxyquinolin-3-yl)-1,2,4-oxadiazole
Basic Information
CAS
2232180-74-2
Multi CAS
No
Molecular Formula
C18H12BrN3O2
Molecular Weight
382.200000
Exact Mass
381.011290
SMILES
COC1=CC2=NC=C(C=C2C=C1)C3=NC(=NO3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C18H12BrN3O2/c1-23-15-7-4-12-8-13(10-20-16(12)9-15)18-21-17(22-24-18)11-2-5-14(19)6-3-11/h2-10H,1H3
InChIKey
IZEKVHBNUXXZFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
21
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
94.72
TPSA
61.04
LogP / Solubility
WLOGP
4.72
MLOGP
4.18
XLogP3
4.4
Consensus LogP
4.43
Log S (ESOL)
-5.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.42
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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