CAS RN: 16082-64-7
2-AMINO-N-QUINOLINE-8-YL-BENZENESULFONAM
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250715 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS16082-64-7
- Purity/Analytical Methods: >99.0%
16082-64-7 / 2-amino-N-quinolin-8-ylbenzenesulfonamide
Basic Information
CAS
16082-64-7
Multi CAS
No
Molecular Formula
C15H13N3O2S
Molecular Weight
299.300000
Exact Mass
299.072848
SMILES
C1=CC=C(C(=C1)N)S(=O)(=O)NC2=CC=CC3=C2N=CC=C3
InChI
InChI=1S/C15H13N3O2S/c16-12-7-1-2-9-14(12)21(19,20)18-13-8-3-5-11-6-4-10-17-15(11)13/h1-10,18H,16H2
InChIKey
NIOOKXAMJQVDGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
83.41
TPSA
85.08
LogP / Solubility
WLOGP
2.62
MLOGP
2.32
XLogP3
1.6
Consensus LogP
2.18
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317
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