CAS RN: 915369-22-1
3-Quinolinecarbonitrile, 8-broMo-4-chloro-6-nitro-
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.20260517 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS915369-22-1
- Purity/Analytical Methods: >99.0%
915369-22-1 / 8-bromo-4-chloro-6-nitroquinoline-3-carbonitrile
Basic Information
CAS
915369-22-1
Multi CAS
No
Molecular Formula
C10H3BRCLN3O2
Molecular Weight
312.500000
Exact Mass
310.909720
InChI
InChI=1S/C10H3BrClN3O2/c11-8-2-6(15(16)17)1-7-9(12)5(3-13)4-14-10(7)8/h1-2,4H
InChIKey
YNOFDLZGNVSUFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
65.82
TPSA
79.82
LogP / Solubility
WLOGP
3.43
MLOGP
3.03
XLogP3
3.1
Consensus LogP
3.19
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 915369-47-0 3-Quinolinecarbonitrile, 8-chloro-4-[(3-chloro-4-fluorophenyl)aMino]-6-nitro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/915369-47-0.gif)
