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CAS 482333-74-4 Saccharin 1-methylimidazole (SMI) molecular structure lightbox
CAS RN: 482333-74-4

Saccharin 1-methylimidazole (SMI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260620 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS482333-74-4
  • Purity/Analytical Methods: >99.0%
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482333-74-4 / 1,1-dioxo-1,2-benzothiazol-3-one;1-methylimidazole

Standard CAS: 482333-74-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
482333-74-4
Multi CAS
Yes
Molecular Formula
C11H11N3O3S
Molecular Weight
265.290000
Exact Mass
265.052112
InChI
InChI=1S/C7H5NO3S.C4H6N2/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;1-6-3-2-5-4-6/h1-4H,(H,8,9);2-4H,1H3
InChIKey
DMSNKRPEUQVMNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.09
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.3
TPSA
81.06

LogP / Solubility

WLOGP
0.54
MLOGP
0.48
XLogP3
0.54
Consensus LogP
0.52
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.96

Drug-likeness / Medicinal Chemistry

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

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