CAS RN: 97919-22-7
5-chloroquinoxaline-2-sulfanilamide
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS97919-22-7
- Purity/Analytical Methods: >99.0%
97919-22-7 / 4-amino-N-(5-chloroquinoxalin-2-yl)benzenesulfonamide
Basic Information
CAS
97919-22-7
Multi CAS
Yes
Molecular Formula
C14H11CLN4O2S
Molecular Weight
334.800000
Exact Mass
334.029125
InChI
InChI=1S/C14H11ClN4O2S/c15-11-2-1-3-12-14(11)17-8-13(18-12)19-22(20,21)10-6-4-9(16)5-7-10/h1-8H,16H2,(H,18,19)
InChIKey
CTSNHMQGVWXIEG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
86.21
TPSA
97.97
LogP / Solubility
WLOGP
2.67
MLOGP
2.36
XLogP3
2.3
Consensus LogP
2.44
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
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)
-2.87
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
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