![2-(1H-benzimidazol-2-yl)-3-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile structure](/static/products/881/881044-24-2.png)
2-(1H-benzimidazol-2-yl)-3-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile
TL;DR: 2-(1H-benzimidazol-2-yl)-3-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile (CAS 881044-24-2) is a chemical compound with molecular formula C21H21N5O3S and molecular weight 423.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1H-benzimidazol-2-yl)-3-oxobutanenitrile
Also Known As: 2-(1H-benzimidazol-2-yl)-3-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile, 2-(1H-benzo[d]imidazol-2-yl)-3-oxo-4-(4-(phenylsulfonyl)piperazin-1-yl)butanenitrile, 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1H-benzimidazol-2-yl)-3-oxobutanenitrile, 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1H-benzoimidazol-2-yl)-3-oxo-butanenitrile
| Molecular Formula | C21H21N5O3S |
|---|---|
| Molecular Weight | 423.14 g/mol |
| LogP | 1.74568 |
| Topological Polar Surface Area | 110.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.1365 |
| Heavy Atoms | 30 |
| Complexity | 1159.1099 |
Chemical Identifiers
| CAS Number | 881044-24-2 |
|---|---|
| SMILES | C1CN(CCN1CC(=O)C(C#N)C2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4 |
Product Overview
2-(1H-benzimidazol-2-yl)-3-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile (CAS 881044-24-2), with molecular formula C21H21N5O3S and molecular weight 423.14 g/mol. IUPAC: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1H-benzimidazol-2-yl)-3-oxobutanenitrile.
Chemical Property Profile of 2-(1H-benzimidazol-2-yl)-3-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile
Property Insights of 2-(1H-benzimidazol-2-yl)-3-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile
The XLogP value of 1.74568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-benzimidazol-2-yl)-3-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile. The TPSA of 110.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-benzimidazol-2-yl)-3-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-yl)-3-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1H-benzimidazol-2-yl)-3-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile?
The CAS number of 2-(1H-benzimidazol-2-yl)-3-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile is 881044-24-2.
What is the molecular formula of 2-(1H-benzimidazol-2-yl)-3-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile?
The molecular formula of 2-(1H-benzimidazol-2-yl)-3-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile is C21H21N5O3S.
What is the molecular weight of 2-(1H-benzimidazol-2-yl)-3-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile?
The molecular weight of 2-(1H-benzimidazol-2-yl)-3-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile is 423.14 g/mol.
Where can I buy 2-(1H-benzimidazol-2-yl)-3-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile?
You can request a quote for 2-(1H-benzimidazol-2-yl)-3-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-benzimidazol-2-yl)-3-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-yl)-3-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.