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CAS 90408-28-9 N,N-dimethyl-2-methylimidazole-1-sulphonamide molecular structure lightbox
CAS RN: 90408-28-9

N,N-dimethyl-2-methylimidazole-1-sulphonamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251009 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS90408-28-9
  • Purity/Analytical Methods: >99.0%
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90408-28-9 / N,N,2-trimethylimidazole-1-sulfonamide

Standard CAS: 90408-28-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90408-28-9
Multi CAS
No
Molecular Formula
C6H11N3O2S
Molecular Weight
189.240000
Exact Mass
189.057198
InChI
InChI=1S/C6H11N3O2S/c1-6-7-4-5-9(6)12(10,11)8(2)3/h4-5H,1-3H3
InChIKey
XZKIIXAYFWZZPB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
44.97
TPSA
55.2

LogP / Solubility

WLOGP
-0.15
MLOGP
-0.14
Consensus LogP
-0.1
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.98

Drug-likeness / Medicinal Chemistry

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

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