![CAS 1823876-66-9 1-[(1-IMidazolyl)sulfonyl]-4-Methylpiperazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72685941.gif)
CAS RN: 1823876-66-9
1-[(1-IMidazolyl)sulfonyl]-4-Methylpiperazine
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.20251213 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-083930
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 0.25g, 0.1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1823876-66-9 / 1-imidazol-1-ylsulfonyl-4-methylpiperazine
Basic Information
CAS
1823876-66-9
Multi CAS
No
Molecular Formula
C8H14N4O2S
Molecular Weight
230.290000
Exact Mass
230.083747
SMILES
CN1CCN(CC1)S(=O)(=O)N2C=CN=C2
InChI
InChI=1S/C8H14N4O2S/c1-10-4-6-11(7-5-10)15(13,14)12-3-2-9-8-12/h2-3,8H,4-7H2,1H3
InChIKey
AZYPDQKQDMGVQX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
55.61
TPSA
58.44
LogP / Solubility
WLOGP
-0.78
MLOGP
-0.68
XLogP3
-0.6
Consensus LogP
-0.69
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
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)
-4.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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