![CAS 687576-28-9 N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/687576-28-9.gif)
CAS RN: 687576-28-9
N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250312 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS687576-28-9
- Purity/Analytical Methods: >99.0%
687576-28-9 / N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
Basic Information
CAS
687576-28-9
Multi CAS
No
Molecular Formula
C22H19N3O3S2
Molecular Weight
437.500000
Exact Mass
437.086784
InChI
InChI=1S/C22H19N3O3S2/c23-30(27,28)16-9-7-15(8-10-16)11-12-24-22(26)18-14-20(21-6-3-13-29-21)25-19-5-2-1-4-17(18)19/h1-10,13-14H,11-12H2,(H,24,26)(H2,23,27,28)
InChIKey
QGHYISYCZNANMY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
21
Fraction Csp3
0.09
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
118.91
TPSA
102.15
LogP / Solubility
WLOGP
3.58
MLOGP
3.18
XLogP3
3.4
Consensus LogP
3.39
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.2
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)
-2.84
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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