CAS RN: 198127-92-3
N,N-DIMETHYL 4,5-DIIODO-1H-IMIDAZOLE-1-SULFONAMIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260617 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS198127-92-3
- Purity/Analytical Methods: >99.0%
198127-92-3 / 4,5-diiodo-N,N-dimethylimidazole-1-sulfonamide
Basic Information
CAS
198127-92-3
Multi CAS
No
Molecular Formula
C5H7I2N3O2S
Molecular Weight
427.000000
Exact Mass
426.834840
SMILES
CN(C)S(=O)(=O)N1C=NC(=C1I)I
InChI
InChI=1S/C5H7I2N3O2S/c1-9(2)13(11,12)10-3-8-4(6)5(10)7/h3H,1-2H3
InChIKey
BRCLUKJLHQKEGH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
65.67
TPSA
55.2
LogP / Solubility
WLOGP
0.75
MLOGP
0.68
XLogP3
1
Consensus LogP
0.81
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly 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)
-4.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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