CAS RN: 60200-06-8
Clorsulon
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5 package records4 with current stock1 grade group
- Product code: starshine_CAS60200-06-8
- Purity/Analytical Methods: >99.0%
60200-06-8 / 4-amino-6-(1,2,2-trichloroethenyl)benzene-1,3-disulfonamide
Basic Information
CAS
60200-06-8
Multi CAS
No
Molecular Formula
C8H8CL3N3O4S2
Molecular Weight
380.700000
Exact Mass
378.902181
InChI
InChI=1S/C8H8Cl3N3O4S2/c9-7(8(10)11)3-1-4(12)6(20(14,17)18)2-5(3)19(13,15)16/h1-2H,12H2,(H2,13,15,16)(H2,14,17,18)
InChIKey
QOVTVIYTBRHADL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
78.08
TPSA
146.34
LogP / Solubility
WLOGP
0.91
MLOGP
0.82
XLogP3
1.2
Consensus LogP
0.98
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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