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CAS 5250-72-6 4-AMINO-5,6-DICHLOROBENZENE-1,3-DISULFONAMIDE molecular structure lightbox
CAS RN: 5250-72-6

4-AMINO-5,6-DICHLOROBENZENE-1,3-DISULFONAMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250329 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5250-72-6
  • Purity/Analytical Methods: >99.0%
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5250-72-6 / 4-amino-5,6-dichlorobenzene-1,3-disulfonamide

Standard CAS: 5250-72-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5250-72-6
Multi CAS
No
Molecular Formula
C6H7CL2N3O4S2
Molecular Weight
320.200000
Exact Mass
318.925503
InChI
InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
InChIKey
DNBXGTICJYDFDT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
63.62
TPSA
146.34

LogP / Solubility

WLOGP
-0.13
MLOGP
-0.1
XLogP3
0.2
Consensus LogP
-0.01
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.87
Class (SILICOS-IT)
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)
-4.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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