CAS RN: 167704-98-5
2-formyl-N,N-dimethyl-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.20251026 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS167704-98-5
- Purity/Analytical Methods: >99.0%
167704-98-5 / 2-formyl-N,N-dimethylimidazole-1-sulfonamide
Basic Information
CAS
167704-98-5
Multi CAS
No
Molecular Formula
C6H9N3O3S
Molecular Weight
203.220000
Exact Mass
203.036462
SMILES
CN(C)S(=O)(=O)N1C=CN=C1C=O
InChI
InChI=1S/C6H9N3O3S/c1-8(2)13(11,12)9-4-3-7-6(9)5-10/h3-5H,1-2H3
InChIKey
YCGFMIGUZDDCBM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
45.62
TPSA
72.27
LogP / Solubility
WLOGP
-0.65
MLOGP
-0.57
XLogP3
-0.6
Consensus LogP
-0.61
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.42
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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